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SEMIRE Banjo

SEMIRE Banjo
Contact Info
Department of Pure and Applied Chemistry
Verification Status
Admin:  
HR:  
Prof. Semire Banjo
Professor and Computational Chemist
Male
Faculty: Faculty of Pure and Applied Sciences
Department: Department of Pure and Applied Chemistry
Directorate/Unit:

Brief about me

I am a seasoned physical and computational Chemistry researcherspecializing in the use of Quantum Chemical Methods for the Design, modelling and electronic modulations of metal free organic based dyesensitizers for applications in Dye sensitized solar cells (DSSCs) and electro-photoactive, electroluminescent devices and field effect transistors. Also, I am an adept in the use of spectroscopic techniques (NRM, infrared and Raman Spectroscopies as well as X-ray diffraction techniques). Kineticsand thermodynamics studies of reaction mechanisms of bio-molecular compounds, Corrosioninhibition studies; Molecular Docking and molecular dynamics simulation of the interactions inChemico-biological systems. I am active member of the Department of Pure and Applied Chemistry involving in teaching (especially Physical Chemistry courses) both at undergraduate and postgraduate levels, member of Departmental Seminar Committee, Departmental Board of Examiners, Departmental Review Committee, Faculty Board of Examiners and Departmental examination officer. I am a member of LAUTECH senate.  I have moved through the ranks to become a full professor of “Physical and Computational Chemistry” on October 1, 2017. Since joined the University, I have supervised three PhD students as well as Master students.

I am a recipient of: (i) Best graduating student in the Department of P/A Chemistry, LAUTECH. (1998/99); (ii) Best graduating student in the faculty of P/A Sciences, LAUTECH.  (1998/99); (iii) LAUTECH Senate research grant for Research and Publication 2012/2013; (iv) Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR)-Centre for International Co-operation in Science (CICS) Fellowship Programme, India in 2014, and (v) Best Research Paper Award 2017 in ‘Drug Design and Medicinal Chemistry’ Section by Central Executive Council of Association of Pharmacy Professionals (APP) At APP 6th Annual Convention on 12th August, 2017 at Alwar Pharmacy College, Alwar Rajasthan, India.  I am member of Chemical society of Nigeria and International Union of Pure and Applied Chemistry.

 

 

Academic Qualifications
B. Tech (Hons) in Pure and Applied Chemistry 2000
M. Tech Degree in Pure and Applied Chemistry 2005
Doctor of philosophy (PhD) in Physical Chemistry 2009

Professional Qualifications
Member, Chemical Society of Nigeria
Member, International Union of Pure and Applied Chemistry

Academic Networking
Google Scholar URL
https://scholar.google.com/citations?user=pEnypPMAAAAJ&hl=en
LinkedIn URL
https://ng.linkedin.com/in/banjo-semire-93001a33
ResearchGate URL
https://www.researchgate.net/profile/Banjo_Semir
ORCID URL
https://orcid.org/0000-0002-4173-9165
Scopus URL
https://www.scopus.com/authid/detail.uri?authorId=21735218600
Skills
Molecular Docking
Computational Drug Discovery and Design
Structure-Based Drug Design and Discovery
Molecular Dynamics Simulation
Cheminformatics and Bioinformatics
Pharmacoinformatics

Interests
Researcher

Languages
Yoruba
English

List of Publications
  • THESIS/ DISSERTATION:
  1. (B. Tech., Thesis) The physicochemical properties of Sweet Potatoes Starches (February, 2000)
  2. (M. Tech., Thesis) Theoretical Calculations of Energies for Iron(II) and Iron(III) Complexes of Phenanthroline (April, 2005)
  3. (Ph.D. Thesis) Theoretical Studies on Structural and Electronic properties of some Selected Heterocyclic Organic Polymers and Hetero-fullerenes (April, 2009).
  • JOURNAL ARTICLES:
  1. Odunola O.A and Semire B. (2007) “Conformational Analysis (Semi empirical PM3) and Electronic Properties of Functionalized Oligo(hexylpyrroles)” Journal of Chemistry, 4(3), 363-371.
  2. Odunola O.A and Semire B.(2007) “Semi Empirical Study of the Stability and Aromaticity of Heterofullerenes C26BNX2 [X= H, Cl and F]” Nano Science and Nano technology: An Indian Journal, 1(2), 80-85.
  3. Odunola O.A, Semire B and Bello O.S. (2007) “PM3 Study of Conformational Analysis and Electronic Properties of Functionalized Oligohexylfurans” Material Science: An Indian Journal, 3(2), 131-136.
  4. Odunola O.A and Semire B.(2008) “Semi-empirical study of Conformational Analysis and Electronic Properties of Functionalized Oligo(hexylthiophenes)” Asian Journal of Chemistry, 20(6), 4343-4352.
  5. Ige W.J and Semire B.(2008) “Modification of Hϋckel Molecular Orbital Theory for the Calculations of Binding Energy for Phenanthroline Complexes of Iron (II) and Iron (III)” Science Focus, 13(1), 6-13.
  6. Semire B, Oladipo M.A and Adeoye I.O. (2008) “Synthesis, Characterization and Quantum Chemical Investigation of Iron(II) tris(1,10-Phenanthroline complexes). Inorganic Chemistry: An Indian Journal, 3(2), 97-100.
  7. Semire B and Odunola O.A. (2009)Investigation of Ethene-bisfullerenes and    their Derivatives as Photovoltaic System [C28X1=X2C28]: Semi-empirical study”. Oriental Journal of Chemistry, 25(3), 505-510.
  8. Semire B and Odunola O.A. (2009)Investigation of Ethene-bisfullerenes and    their Derivatives as Photovoltaic System [C28X1=X2C28]: Semi-empirical study”. Oriental Journal of Chemistry, 25(3), 505-510.
  9. Semire B and Odunola O.A. (2009). “Structural and electronic properties of Chloromethylfuran Oligomers: Semi-empirical and DFT study”. Oriental Journal of Chemistry, 25(4), 841-846
  10. Semire B and Odunola O.A. (2009). “Stability and electronic properties of charged C26BN at various spin multiplicities using AM1 and PM3 Semi-empirical methods”. Science Focus, 14(4), 439-446
  11. Adeoye I.O., Odunola O. A., Oladipo M.A and Semire B.(2010) “Quantum Chemical Study on Molecular and Electronic Structures of Methyl and Methoxyl Substituted Cu(II) and Ni(II) Benzoic Acid Hydrazides ions”. Journal of Chemistry, 7(2), 517-525.
  12. Semire B and Adejoro I.A. (2010) “Theoretical study on the structural and electronic properties of TTF-C28 and its derivatives” European Journal of Scientific Research, 43(3), 364-369.
  13. SemireB and Odunola O.A. (2011) DFT on Cyclopenta-2,4-dienones and cyclopenta-2,4-dienethiones as dienophiles for reactivity prediction in diels-alder reactions. Khimiya, 20(2). E9-E18.
  14. Adekunle F.A., Oladipo M. A. and Semire B. (2011) “Synthesis, Spectroscopic, characterization and theoretical studies of Cu(Phen)2H2O(ClO4)2 with some bridging ligands”. Science Focus 16 (1), 60-68.
  15. Semire B and Odunola O.A. (2011)Semi-empirical and Density Functional Theory Study on Structure of Fluoromethylfuran Oligomers.Australian Journal of Basic and Applied Sciences, 5(11): 354-359.
  16. SemireB and Odunola O.A.  (2012) Theoretical Study on nucleophilic behaviour of 3,4-Dioxa-7-thia-cylopenta[a]pentalene and 3,7-Dioxa-4-thia-cyclopenta[a]pentalene using ab intio and DFT based reactivity descriptors. International Journal of Chemical Modeling 4 (1), 87-96.
  17. Semire B.,Odunola O. A and Adejoro I. A (2012)Structural and electronic Properties of 4H-Cyclopenta[2,1-b,3;4-b’]dithiophene S-Oxide (BTO) With S, S=O, O, SiH2 and BH2 Bridge: Semi-Empirical and DFT study.Journal of Molecular Modeling, 18(6) 2755-2760.
  18. Olugbenga Solomon Bello and Semire Banjo(2012) Equilibrium, kinetic and quantum chemical studies on the adsorption of Congo red dye using Imperata cylindrical leaf powder. Toxicological and Environmental Chemistry, 94(6), 1114-1124.
  19. Semire B., Oyebamiji A and Ahmad M (2012) Theoretical Study on Structure and Electronic Properties of 2, 5-Bis [4-N, N-Diethylaminostyryl] Thiophene and Its Furan and Pyrrole Derivatives Using Density Functional Theory (DFT). Pakistan Journal of Chemistry, 2(4), 166-173.
  20. Adejoro A., Ogunyemi B. T and Semire B (2012) Theoretical study on the structural and electronic properties of new materials based on benzothiodiazole and pyrrole derivative. Der Pharma Chemica 4(6), 2214-2221
  21. Semire Banjo (2013)Density Functional Theory studies on electronic properties of thiophene S-oxides as aromatic dienophiles for reactivity prediction in Diels-Alder reactions. Pakistan Journal of Scientific and Industrial Research, Series A: Physical Sciences 56(1), 14-18
  22. Adeoye Idowu Olatunbosun and Semire Banjo (2013). Solvents Effect on Geometries and Electronic Properties of Picolinic acid: A Theoretical Study. International Journal Basic and Applied Sciences, 13(2), 101-107
  23. Semire Banjo andAdeoye Idowu Olatunbosun(2013) Quantum chemical calculations on molecular structures and solvents effect on 4-nitropicolinic and 4-methoxylpicolinic acid. International Journal of Physical Sciences 8(26), 1382-1392
  24. F.A.O.AdekunleB. Semire and O.A.Odunola(2013) Mixed ligand complexes of Ru(II) complexes with 5,6-dimethyl -3-pyridin-2-yl-[1,2,4]triazine: Synthesis, Characterization and Quantum Chemical Study using Semi-empirical PM 3 and Ab initio Methods. Elixir International Journal: Computational Chemistry 61, 17019-17023
  25. Semire Banjo and Bello Isah Adewale (2013). Density functional theory (DFT) study on structure and electronic properties of disperse dyes derived from 2-amino-4-trifluoromethylbenzothiazole and N,N-alkylanilines. International Journal Applied Chemistry. 9(2), 151-163.
  26. Bello Isah Adewale and Semire Banjo (2013). Theoretical Study on Structural and Electronic Properties of 4-[(E)-[4-(trifloromethyl)-1,3-benzothiazol-2-yl]azo]naphthalen-1-ol and 1-[(E)-[4-(trifloromethyl)-1,3-benzothiazol-2-yl]azo]naphthalen-2-ol using Density Functional Theory (DFT). International Journal of Physical Sciences 8(29), 1494-1505.
  27. F.A.O. Adekunle, B. Semire and O.A. Odunola (2013) Synthesis, Characterization and QuantumChemical study of some Co(II) and Cu(II) Complexes of acetoacetic acid hydrazide. Asian Journal of Chemistry 25(13), 7371-7376.
  28. Oladipo Mary Adelaide, Semire Banjo, AdeagboAdewumi Idowu and Johnson Jonathan Abidemi(2013) Synthesis, Spectroscopic Characterization and Theoretical Studies of Copper (II) 1, 3-diphenylpropane-1, 3-dione complex and its 1,10-phenanthroline, 2, 2-bipyridine adducts. International Journal of Pure and Applied Sciences and Technology, 17(1) (2013), 1-10
  29. F.A.O. Adekunle, B. Semire and O.A. Odunola, (2013) Synthesis, Characterization and Semi-empirical study of Di-nuclear Mixed-Ligands of Complexes Ru(II). Oriental Journal of Chemistry, 29(3), 945-951.
  30. Semire Banjo and OdunolaAyobami Olusegun, (2013) Density Functional Theory on the efficiencies of 2-phenylimidazo[1,2-a]pyridine and 2-(m-methoxyphenyl)imidazo[1,2-a]pyrimidine as corrosion inhibitors for mild steel. Khimiya, 22(6), 893-906
  31. Oladipo Mary Adelaide, Semire Banjo, OsunlanaRonke Ruth, and Onawumi O.O. Esther (2013)Theoretical studies on the structural and electronic properties of copper (II) complexes of some β-diketones and their 1,10-phenanthroline adducts. International Journal of Scientific &Engineering Research, 4(10) 332-351
  32. Adeoye Idowu Olatunbosun and Semire Banjo (2013) Molecular orbital studies (hardness,chemical potential and electrophilicity) and solvent effect on 3-mehtyl-, 4-methyl and 4phenylpicolinic acid: Density Functional Theory (DFT). Middle East Journal of scientific Research, 18 (5), 597-608.
  33. Banjo Semire (2014) Ab initio and Density Functional Theory Studies on Selected Thioaldehydes and Thioketones. Elixir International Journal: Applied Chemistry, 70: 24289- 24293
  34. Banjo Semire and Olusegun AyobamiOdunola (2014) DFT study on low molecular weightα,α-ditert-butyl-4H-cyclopenta[2,1-b,3;4-b′]dithiophene and α,α-ditert-butyl-4Hcyclopenta[2,1-b,3;4-b′]dithiophene S-oxide bridged Derivatives. Quimica Nova, 37(5), 833-838.
  35. Ravindra M. Gol, Anupam Bera, Semire Banjo, Bishwajit Ganguly and Suresh K. Jewrajka, (2014) Effect of amine spacer of PEG on the properties, performance and antifouling behavior ofpoly(piperazineamide) thin film composite nanofiltration membranes prepared by in situ PEGylation approach. Journal of Membrane Science 472, 154-166,
  36. Olugbenga Solomon Bello, Mohd Azmier Ahmad and Semire Banjo (2014) Scavenging malachite green dye from aqueous solutions using pomelo (Citrus grandis) peels: kinetic, equilibrium and thermodynamic studies. Desalination and Water Treatment. 56(2) 521-535, DOI: 10.1080/19443994.2014.940387
  37. Banjo Semire and Olusegun AyobamiOdunola (2015). Theoretical Study on the Structure and Electronic Properties of 4H-Cyclopenta[2,1-b,3;4-b’]dithiophene S-oxide and its CCl2 and CF2 Bridged Derivatives. Indonesian Journal of Chemistry 15(1) 93-100.
  38. Adekunle Abosede Funmilayo O, Semire Banjo and Olusegun AyobamiOdunola (2015)Synthesis, Characterization and Quantum Chemical Studies of Ru (phen) 2Cl2. 2H2O and Ru(bipy) 2Cl2. 2H2O with 2, 6-Diacetylpyridinedihydrazone. Synthesis and Reactivity in Inorganic, Metal-Organic, and Nano-Metal Chemistry 45(8), 1102-1107 DOI 10.1080/15533174.2013.862662
  39. Nellore Bhanu Chandar, Shibaji Ghosh, Rabindranath Lo, Semire Banjo and BishwajitGangul(2015) In silico Studies on the role of mutant Y337A to reactive tabun inhibited mAChe withK048. Chemico-Biological Interactions. 242, 299-306 doi.org/10.1016/j.cbi.2015.10.016
  40. Semire Banjo, Oyebamiji Abel and Odunola Olusegun Ayobami, (2016) Design of (2Z)-2-cyano-2-[2-[(E)-2-[5-[(E)-2-(4-dimethylaminophenyl)vinyl]-2-thienyl]vinyl]pyran-4-ylidene]acetic acid Derivatives as D-π-A Dye-sensitizers in Molecular Photovoltaic; A DensityFunctional Theory Approach. Research on Chemical Intermediate 42(5), 4605-4619. DOI:10.1007/s11164-015-2303-z
  41. Ibrahim Olasegun A.1, Bello Isah A., Semire Banjo, Bolarinwa Hakeem S. and Boyo Adenike (2016) Purity-performance relationship of anthocyanidins as sensitizer in dye-sensitized solar cells. International Journal of Physical Sciences 11(8), 104- 111 DOI: 10.5897/IJPS2016.4468
  42. Oluwafunmilayo F. Adekunle, Nelson Obi-Egbedi, Banjo Semire and Olusegun A. Odunola(2016) Synthesis, Characterization and Theoretical studies of Mixed–Ligand complexes of[Cu(bipy)2 (4-methylimidazole-5-carboxaldehyde)(ClO4)2 and Cu(bipy)2(indole-3-carboxaldehyde)](ClO4)2. Elixir International Journal: Applied Chemistry 95, 40583-40588
  43. Oluwafunmilayo F. Adekunle, Nelson Obi-Egbedi, Banjo Semire and Olusegun A. Odunola(2016) Synthesis, Characterization and Quantum Chemical studies of the mixed–ligandcomplex [Cu(bipy)2S8](ClO4)2. Elixir International Journal: Computational Chemistry 95,40727-40731.
  44. Oyebamiji Kolawole Abel and Semire Banjo (2016) Studies of 1,4-Dihydropyridine Derivatives for anti-breast cancer (MCF-7) activities: combinations of DFT-QSAR and docking methods. New York Science Journal 9(6), 58-66. doi:10.7537/marsnys09061610
  45. Oyebamiji Abel Kolawole and Semire Banjo (2016) DFT-QSAR model and docking studiesof anti-liver cancer (HEPG-2) activities of 1,4-Diydropyridine based derivatives. CancerBiology 6(2) 69-72. doi:10.7537/marscbj06021610.
  46. M.O. Abdulazeez, A.K. Oyebamiji and B. Semire (2016) DFT-QSAR studies on corrosioninhibition efficiency of derivatives of thiadiazole, oxadiazole and triazole. International Journalof Corrosion and Scale Inhibition. 5(3), 248–262. doi: 10.17675/2305-6894-2016-5-3-5
  47. Abel Kolawole Oyebamiji and Banjo Semire (2016) Studies of Anti-hypertensive Activity of 1,4-Dihydropyridine Derivatives: Combinations of DFT-QSAR and Docking Approaches, Bulletin ofPharmaceutical Research 6(3), 105-113. DOI: 10.21276/bpr.2016.6.3.4
  48. Semire Banjo and LarayetanAbisoye Rotimi (2016) Ab initio and DFT study on molecularstructure and reactivity indices on 4-(4-aminophenylethynyl)picolinic acid and 4-(3-aminophenylethynyl)picolinic acid. Iraqi National Journal of Chemistry 16(4), 224-242
  49. Abdulsalami I. O., Banjo S., Bello I. A., O., Bolarinwa H. S. and Egunjobi I. A. (2016) Fabrication of dye-sensitized solar cells using anthocyanidins from the extracts of Roselle(Hibiscus sabdariffa). Fountain Journal of Natural and Applied Sciences 5(1): 25 – 3710
  50. Banjo Semire, Abel Kolawole Oyebamiji and Olusegun AyobamiOdunola (2017)Tailoring of Energy Levels in (2Z)-2-cyano-2-[2-[(E)-2-[2-[(E)-2-(p-tolyl)vinyl]thieno[3,2-b]thiophen-5-yl]vinyl]pyran-4-ylidene]acetic acid Derivatives via Conjugate Bridge and Fluorination of Acceptor units for Effective D-π-A Dye-Sensitized Solar Cells: DFT-TDDFT Approach. Research on Chemical Intermediates 43, 1863–1879, DOI: 10.1007/s11164-016-2735-0
  51. SEMIRE, Banjo, MUTIU, Oluwatumininu, and OYEBAMIJI, Kolawole Abel, (2017) Abinitio and DFT Methods on NMR, IR and Reactivity Indices of Indol-3-carboxylate andIndazole-3-carboxylate Derivatives of Cannabinoids: Comparative Study. Journal of Physicaland Theoretical Chemistry 13 (4) 353-377
  52. Abel Kolawole Oyebamiji and Banjo Semire (2017) The studies of 2-[5-(aryloxymethyl)-1,3,4-oxadiazol-2-ylsulfanyl] acetic acid derivatives for anti-bacterial activiries via DFT-QSAR and Docking Approaches. Bulletin of Pharmaceutical Research 7(3), 148. DOI: 10.21276/bpr.2017.7.3.1
  53. Olofinjana Sikemi, Oyebamiji Abel Kolawole and Semire Banjo, (2017) Quantum ChemicalStudies on Corrosion Inhibition of 1,3-Thiazine Derivatives for Mild Steel: DFT Approach.Manila Journal of Science 10, 44-63
  54. Semire Banjo, Adekunle Funmilayo Abosede, Akanji Samuel Babarinde and AdewumiVictor, (2017) Corrosion Inhibition of 5-Methyl-2H-imidazol-4-carboxaldehyde and 1H-Indole-3-carboxyaldehyde on Mild Steel in 1.0 M HCl: Gravimetric Method and DFT Study. Journalof Physical and Theoretical Chemistry, IAU Iran 14(1), 1-14
  55. Semire Banjo and Oyebamiji Abel Kolawole, (2017) Quantum Chemical Studies on CorrosionInhibition of N-(N’-Phenylbenzenesulphonamido)-3-Carboxy-4-Methyl-4-(4-Methylphenyl)-3-Butanamide Derivatives: DFT-QSAR Method. New York Science Journal, 10(12), 11-21doi:10.7537/marsnys101217.02
  56. Banjo SEMIRE and Abel Kolawole OYEBAMIJI (2017) Theoretical studies on pyrazole derivatives as anti-breast cancer agents: DFT, QSAR and Docking Methods. Bulletin of Pharmaceutical Research 7(3), 150. DOI: 10.21276/bpr.2017.7.3.3
  57. Semire Banjo and Abel Kolawole OYEBAMIJI (2017) Theoretical Studies on Corrosion Inhibition of N-Aroyl-N’-Aryl Thiourea Derivatives using conceptual DFT Approach. Journal of Physical and Theoretical chemistry IAU Iran 14(2) 165-177.
  58. Abel Kolawole OYEBAMIJI and Banjo SEMIRE (2018) Theoretical studies of ant-corrosion properties of Triphenylimidazole derivatives in corrosion inhibition of carbon steel in acidic media. Analytical and Bioanalytical Electrochemistry 10(1), 136-14611
  59. Ibrahim Asiata Omotayo, Oyebamiji Kolawole Abel and Semire Banjo (2018), Molecular Properties of the Valence Isomers of Diazines: Density Functional Theory (DFT) and MøllerPlesset (MP2) Study. International Journal of modern Chemistry 10(1), 117-137.
  60. Abel K. OYEBAMIJI and SEMIRE Banjo (2018) DFT-QSAR and Docking Studies of 2-[5-(aryloxymethyl)-1,3,4-oxadiazol-2-ylsulfanyl] acetic acids Derivatives against Bacillus subtilis. Der Pharma Chemica 10(3), 135-139.
  61. IBRAHIM, Asiata Omotayo, Abel Kolawole Oyebamiji, Oyeladun Rhoda Oyewole and Banjo Semire (2018), A DFT-Based QSAR and Molecular Docking Studies on Potent AntiColon Cancer Activity of Pyrazole Derivatives. Global Journal of Medical Research B:Pharma, Drug Discovery, Toxicology and Medicine, 18(2), 8-21.
  62. Sikiru Akinyeye Ahmed, Banjo Semire and Abideen Idowu Adeogun (2018) Quantum Chemical and Solvatochromic analysis of solvent effects on the Electronic Absorption Spectra of Some Benzodiazepine Derivatives. Journal of Physical and Theoretical Chemistry, 14 (4) 343-352
  63. IBRAHIM Asiata Omotayo, OYEBAMIJI Abel Kolawole and SEMIRE Banjo (2018) Computational investigations on stability and equilibrium composition of (Z)-indol-3-ylidenemethanol: an enol-tautomer of 1H-indole-3-carbaldehyde via DFT Approach. CurrentPhysical Chemistry 8(3) DOI: 10.2174/1877946809666181212113209
  64. OYEBAMIJI Abel Kolawole, LASISI Bukola Mary, OYEBAMIJI Esther Opeyemi, ADEGOKE Adesina Kayode, SEMIRE Banjo and ADELEKE Babatunde Benjamin (2018) Theoretical Evaluation of Pyrazolo[3,4-d]pyrimidine-thiones Analogues as Corrosion Inhibitors for Carbon Steel in Hydrochloric Acid. International Journal of Modern Chemistry, 2018, 10(2): 138-153
  65. IBRAHIM Asiata Omotayo, OYEBAMIJI Abel Kolawole and SEMIRE Banjo (2019) Thermodynamics and Kinetics of hydrogen transfer mechanism in 1-[(E)-1,3-benzothiazol-2-ylazo]naphthalen-2-ol tautomers in aqueous medium: Density Functional Theory. IraqiJournal of Science 60(4), 677-687 DOI: 10.24996/ ijs.2019.60.4.1
  66. IBRAHIM, Omotayo Asiata, SEMIRE, Banjo, ONAWUMI,O.O. Esther and ODUNOLA,Olusegun Ayobami, (2019) Stability investigations on Cu(II) and Mn(II) compounds of 3-(2-pyridyl)-5,6-diphenyl-1,2,4-triazine-4,4′-disulfonic acid using Quantum Chemical Methods.Research Journal of Chemical, Biological and Pharmaceutical Sciences 10(3) 1-11
  67. Banjo Semire, Olusegun Ayobami Odunola (2019) Density Functional Theory (DFT) Studyon α,α-Bis(2-benzothiophen-1-yl)-4H-cyclopenta[2,1-b,3;4-b′]dithiophene Derivatives for Optoelectronic Devices. Journal of Pure and Applied Chemistry Research 8 (2) 126-139. DOI:10.21776/ub.jpacr.2019.008.02.43812
  68. Demehin AbidemiIye wumi, Semire Banjo and Oladipo, Mary Adelaide (2019) Synthesis,spectroscopic, antibacterial and antioxidant activities of Pd(II) mixed-ligand complexes oftridentate schiff bases. Egyptian Journal of Chemistry. DOI: 10.21608/ejchem.2019.12319.1766
  69. Oyebamiji AK and Semire B (2019) Theoretical Bio-Estimation of 1,2,3-triazolo[4,5-d]pyrimidine Hybrids using DFT, Multiple Linear Regression (MLR) and Docking ApproachesDer Pharma Chemica, 11(5): 1-6
  70. Erazua Ehimen A, FolorunsoAderonke S, Akintelu Sunday A, Semire Banjo and OyebamijiAbel Kolawole (2019) DFT and Docking Studies on Anti-Leukemia Activities of SelectedFlavonoids, Journal of Chemical and Pharmaceutical Research, 11(8):1-8
  71. OYEBAMIJI Abel Kolawole, FADARE Olatomide A and SEMIRE Banjo (2019) InhibitingActivity of 1,2,3-TriazolePyrimidine-Urea Hybrids Against Esophageal Cancer: TheoreticalApproach. International Journal of Pharma Sciences and Research (IJPSR), 10 (9), 229-235
  72. ErazuaEhimenAnnastasia, FolorunsoAderonkeSimiloluwa, Oyebamiji Esther Opeyemi,Ogunyemi Babatunde Temitope, Olowosaga Fanny Chinyere, Akintelu Sunday Adewale,Semire Banjo and Oyebamiji Abel Kolawole (2019) Anti-Corrosion Activity Study of 1,2,3-Triazole Derivatives on Carbon Steel in Acidic Media: Theoretical Approach. Analytical andBioanalytical Electrochemistry 11(10), 1414-1425
  73. Misbaudeen Abdul-Hammed, Semire Banjo, Adewusi John Adepoju, Ibrahim OlaideAdedotun,Teslim Alabi Lawal, Monsurat Olajide and Igbayilola Dorcas Adetunji (2019) Dietary Ceramides as Inhibitors of Cyclooxygenase-2 and Thymidylate Synthase: Insights from DFT and Molecular Docking Studies. International Journal of Biological and Physical Sciences (ScienceFocus) 25: 1-20. https://doi.org/10.36293/sfj.2020.0047
  74. Oyebamiji Abel Kolawole and Semire Banjo (2020) In vitro Biological Estimation of [1,2,3]triazolo[4,5-d]pyrimidine Derivatives as Anti-breast Cancer Agent: DFT, QSAR andDocking Studies. Current Pharmaceutical Biotechnology 21, 70-78 DOI: 10.2174/1389201020666190904163003
  75. Demehin AbidemiIye wumi, Semire Banjo and Oladipo, Mary Adelaide (2020) Synthesis,Spectroscopic, Biological Activities and DFT Calculations of Ni(II) mixed-ligand Complexes ofTridentate Schiff bases. EcléticaQuímica Journal. 45(1) 18-43
  76. SEMIRE Banjo, OYEBAMIJI Abel Kolawole and ODUNOLA Olusegun Ayobami (2020),Electronic Properties’ Modulation of D-A-A via Fluorination of 2-Cyano-2-pyran-4-ylideneAcetic Acid Acceptor Unit for Efficient DSSCs: DFT-TDDFT Approach, Scientific African 7,e00287 https://doi.org/10.1016/j.sciaf.2020.e00287.
  77. Oyebamiji Abel Kolawole, FadareOlatomide A and Semire Banjo (2020) Anti-gastric canceractivity of 1,2,3-triazolo[4,5-d]pyrimidine hybrids (1,2,3-TPH): QSAR and molecular dockingapproaches. Heliyon 6, e035619. DOI.10.1016/j.heliyon.2020.e03561
  78. Oyebamiji AK, Alice AB, Aremu AO and Semire B (2020) Potential Inhibiting Activities of1,2,3-Triazole-Pyrimidine Hybrids (1,2,3- Tph) Against Focal Adhesion Kinase Reducing SkinCancer Growth. Der Pharmacia Lettre, 12 (3): 15-21
  79. Oyebamiji Abel Kolawole, Oladipo Elijah Kolawole, Olotu Titilayo Marbel, Awoyelu HildaElukunbi, Adamolekun Emmanuel and Semire Banjo (2020) In-vitro Investigation on Selectedcompounds in Annona Muricata Seed: A Potential SARS-CoV nsp12 Polymerase Inhibitors down Regulating 2019-nCoV. International Journal of Traditional and Natural Medicines, 10(1): 13-23
  80. Oyebamiji Abel Kolawole, FadareOlatomide A and Semire Banjo (2020) Theoretical Studieson 1,2,3-Triazole-Pyrimidine-Urea Hybrids against Type 3 of 3α-Hydroxysteroid Dehydrogenase Reducing Breast Cancer Cell Growth. Journal of Chemical and Pharmaceutical Research, 12(2): 07-13
  81. M. Abdul-Hammed, B. Semire, S. Adewale Adegboyega, A. Kolawole Oyebamiji and T. Ayodele Olowolafe (2020) Inhibition of Cyclooxygenase-2 and Thymidylate Synthase by Dietary Sphingomyelins: Insights from DFT and Molecular Docking Studies. Physical Chemistry Research. 8(2), 296-310, DOI: 10.22036/pcr.2020.214026.1717
  82. Abel Kolawole Oyebamiji, Olatomide A Fadare and Banjo Semire (2020) Hybrid-based drugdesign of 1,2,3-triazolepyrimidine-hybrid derivatives: Efficient inhibiting agents of mesenchymal–epithelial transition factor reducing gastric cancer cell growth. Journal of Chemical Research 44(5-6), 277-280: doi.org/ 10.1177/1747519819898354
  83. Rhoda Oyeladun Oyewole Abel Kolawole Oyebamiji and Banjo Semire (2020) TheoreticalCalculations of Molecular Descriptors for Anticancer Activities of 1,2,3-Triazole-pyrimidinederivatives against Gastric cancer cell (MGC-803): DFT, QSAR and Docking Approaches.Heliyon 6(5), e03926 doi.org/10.1016/j.heliyon.2020.e03926
  84. OYEBAMIJI Abel Kolawole, TOLUFASHE Gideon Femi and SEMIRE Banjo (2020) Inhibition study on Anti-type 3 of 3α-Hydroxysteroid Dehydrogenase Activity against 1,2,3-Triazolo[4,5-D]Pyrimidine Derivatives: Molecular modelling Approach. Scientific African, 8,e00444, https://doi.org/10.1016/j.sciaf.2020.e0044414
  85. Rhoda Oyeladun Oyewole Abel Kolawole Oyebamiji and Banjo Semire (2020) Dataset on theDFT-QSAR and Docking approaches for for Anticancer Activities of 1,2,3-Triazole-pyrimidinederivatives against human Esophageal Carcinoma (EC-109). Data in Brief, 31, 105963https://doi.org/10.1016/j.dib.2020.105963
  86. Abel Kolawole OYEBAMIJI, Ibrahim O. ABDULSALAMI, and Banjo SEMIRE (2020) Dataset on Insilico Approaches for 3,4-dihydropyrimidin-2(1H)-one Urea Derivatives as efficient Staphylococcus aureus Inhibitor. Data in Brief 32, 106195https://doi.org/10.1016/j.dib.2020.106195
  87. Oyebamiji Abel Kolawole, Tolufashe Gideon Femi, Oladipo Elijah Kolawole, Oyawoye Olubukola Monisola, Oyedepo Temitope A, Adeleke Babatunde Benjamin, Akintelu SundayAdewale, and Semire Banjo (2020)Computaional Study on Selected Compounds in GarciniaKola Seed as Potential Coronavirus Main Protease Inhibitors. Nature and Science 18(8):78-85https://doi.org/10.7537/marsnsj180920.10.
  88. Samson Olusegun Afolabi, Banjo Semire, Olubunmi Kolawole Akiode, Tahjudeen AdeniyiAfolabi, Gboyega Augustine Adebayo and MopelolaAbidemi Idowu (2020) Design andtheoretical study of phenothiazine-based low bandgap dye derivatives as sensitizers in molecular photovoltaics. Optical and Quantum Electronics 52:476 https://doi.org/10.1007/s11082-020-02600-5
  89. Abel Kolawole Oyebamij, Gideon Femi Tolufashe, OlubukolaMonisolaOyawoye, Temitope A.Oyedepo and Banjo Semire (2020) Biological Activity of Selected Compounds from Annonamuricata Seed as Antibreast Cancer Agents: Theoretical Study. Journal of Chemistry, 2020,Article ID 6735232, https://doi.org/10.1155/2020/6735232b
  90. Oyebamiji Abel Kolawole, Kaka Oluwatosin M, Akintelu Sunday Adewale, Semire Banjo andAdelowo Joy M. (2020) Theoretical Bio-evaluation of 3,5-dimethoxy-N-vinylbenzenamineAnalogues as Potential anti-Sclerotinia sclerotium. Pharmacologyonline Archives 2020(3),427-439
  91. Abel Kolawole Oyebamiji and Banjo Semire (2020) In‑Silico Study on Anti‑bacteria and Anti‑fungal Activities of 3,4‑Dihydropyrimidin‑2(1H)‑One Urea Derivatives. Chemistry Africa. 4(1), 149-159. https://doi.org/10.1007/s42250-020-00202-y
  92. Abdulsalami Ibrajim Olusegun, Bello Isa Adewale and Semire Banjo (2021) Theoretical Examination of Efficiency of Anthocyanidins as Sensitizers in Dye-Sensitized Solar Cells.Physical Sciences Reviews (Online), 1. https://doi.org/10.1515/psr-2019-013315
  93. Abel Kolawole Oyebamiji, OluwatumininuAbosede Mutiu, FolakeAyobamiAmao, OlubukolaMonisolaOyawoye, Temitope A Oyedepo, Babatunde Benjamin Adeleke and Banjo Semire(2021) Dataset on In-silico Investigation on Triazole Derivatives via Molecular ModellingApproach: A potential glioblastoma inhibitors. Data in Brief 34, 106703https://doi.org/10.1016/j.dib.2020.106703
  94. Oyebamiji Abel Kolawole, Akintelu Sunday Adewale, Odoemene Simon N, Oyeneyin Oluwatoba Emmanuel and Semire Banjo (2021) Theoretical Bioevaluation of 1,2,4- Thiadiazole-1,2,4-triazole Derivatives via Molecular Modelling Approach. Asian Journal Organic and Medicinal Chemistry, 6(1), DOI: https://doi.org/10.14233/ajomc.2021.AJOMCP307
  95. Abel Kolawole Oyebamiji, Oluwatumininu Abosede Mutiu, Folake Ayobami Amao,Olubukola Monisola Oyawoye, Temitope A Oyedepo, Babatunde Benjamin Adeleke and Banjo Semire (2021) Computational Study on Triazole Derivatives as Potential GlioblastomaInhibitors: DFT, QSAR and Docking Approaches. Journal of Chemical and PharmaceuticalResearch, 2021, 13(3):01-09
  96. Samson Olusegun Afolabi, Banjo Semire and MopelolaAbidemi Idowu (2021) Electronic andoptical properties’ tuning of phenoxazine-based D-A2-π-A1 organic dyes for dye-sensitizedsolar cells. DFT/TDDFT investigations Heliyon 7 (2021) e06827https://doi.org/10.1016/j.heliyon.2021.e06827
  97. Peter Ifeoluwa Adegbola, Banjo Semire, Olumide Samuel Fadahunsi and Aanuoluwa EuniceAdegoke (2021) Molecular docking and ADMET studies of Allium cepa, Azadirachta indicaand Xylopia aethiopica isolates as potential anti-viral drugs for Covid-19. VirusDisease.https://doi.org/10.1007/s13337-021-00682-7
  98. Abel Kolawole Oyebamiji, Sunday Adewale Akintelu, Oreoluwa P. Amao, Mary OluwatosinKaka, Adetoun E. Morakinyo, FolakeAyobamiAmao and Banjo Semire (2021) Dataset onTheoretical Bio-Evaluation of 1,2,4-Thiadiazole-1,2,4-Triazole Analogues against EpidermalGrowth Factor Receptor Kinase down Regulating Human Lung Cancer. Data in Briefhttps://doi.org/10.1016/j.dib.2021.107234
  99. Adewusi John ADEPOJU, Abel Kolawole OYEBAMIJI, Sunday Adewale AKINTELU, Idowu Jesulayomi ADEOSUN, Olubunmi Modupe JOSIAH, Ayomide peter AJAYI, Dayo Felix LATONA, Moriam Dasola ADEOYE, Akintomiwa O. ESAN and Banjo SEMIRE (2021) Insightful Bio-Evaluation of 1,2,4-Thiadiazole-1,2,4-Triazole derivatives as Anti-ubiquitinLigase Down-regulating Human Lung Cancer. Research Journal of Pharmaceutical, Biologicaland Chemical Sciences 12(4), 123-131 https://doi.org/10.33887/rjpbcs/2021.12.4.17
  100. Aanuoluwa Eunice Adegbola, Olumide Samuel Fadahunsi, Abdulahi Alausa, Ayodeji ZabdielAbijo, Toheeb Adewale Balogun, Taiwo Sarah Aderibigbe, Banjo Semire and Peter IfeoluwaAdegbola (2021) Computational prediction of nimbanal as potential antagonist of respiratorysyndrome coronavirus. Informatics in Medicine Unlocked 24 (2021) 100617https://doi.org/10.1016/j.imu.2021.100617
  101. Peter Ifeoluwa Adegbola, Olumide Samuel Fadahunsi, Aanuoluwa Eunice Adegbola and BanjoSemire (2021) In silico studies of Potency and safety assessment of selected trial drugs for thetreatment of COVID‑19. In Silico Pharmacology 9:45 https://doi.org/10.1007/s40203-021-00105-x
  102. Oyebamiji AK, Akintelu AS, Mutiu OA, Adeosun IJ, Kaka MO, Olotu TM, Soetan AE, Adelowo JM, Semire B. (2021) In-Silico Study on Anticancer Activity of Selected Alkaloidsfrom Catharanthus roseus. Tropical Journal of Natural Product Research; 5(7):1315-1322.doi.org/10.26538/tjnpr/v5i7.25
  103. T. I. Edewor, A. F. Ogundola, A. O. Akintola, A. J. Adepoju, G. J. Ibikunle, A. J. Mmuo, B.Semire and S. O. Owa(2021) Phytochemical Profile, Antioxidant Activity of Leaf of HoslundiaoppositaVahl and Docking of its Phytochemical Components with Uropathogenic Strain F11(ID:3NRP) and NFeoB from Escherichia coli BL21(ID:5FH9). Asian Journal of Researchin Biochemistry 8(4): 18-29.
  104. Abel Kolawole Oyebamiji1, Olatomide A. Fadare, Sunday Adewale Akintelu and Banjo Semire (2021) Biological Studies on Anthra[1,9‑cd]pyrazol‑6(2D)‑one Analogues as Anti‑vascular Endothelial Growth Factor Via In silico Mechanisms. Chemistry Africa.https://doi.org/10.1007/s42250-021-00276-2
  105. Abel Kolawole OYEBAMIJI, Olubunmi Modupe JOSIAH, Sunday Adewale AKINTELU,MoriamDasola ADEOYE, Babatunde Olasupo SABITU, Dayo Felix LATONA, AkintomiwaO. ESAN, Emmanuel Ayodele SOETAN and Banjo SEMIRE (2021) Dataset on InsightfulBio-Evaluation of 2-(quinoline-4-yloxy)acetamide Analogues as Potential Anti-Mycobacteriumtuberculosis Catalase-Peroxidase Agents via in silico Mechanisms. Data in Brief, 38, 107441https://doi.org/10.1016/j.dib.2021.107441
  106. Oyebamiji Abel Kolawole, Adeleke David Kehinde, Akande Ismail Olawale, Ajayi Ayomide Peter, OladosuIbraheemAyobami, Ojeniyi Festus Akintunde, Oyebamiji17 Esther Opeyemi, Akintelu Sunday Adewale and Semire Banjo (2021). Corrosion InhibitionStudy on (Z)-N'-(1-phenylethylidene) benzohydrazide Derivatives on Carbon Steel in AcidicSolutions. Lebanese Science Journal, 22(1), 98-111.
  107. OYEBAMIJI Abel Kolawole, SOETAN Emmanuel A, ALFRED-ESEZOBOR OluwatoyinBlessing, MORAKINYO Adetoun E, KAKA Mary Oluwatosin, AKINTELU Sunday Adewale, LATONA Dayo Felix, MUTIU OluwatumininuAbosede, ONAMADE Akintoye Abraham, OYENEYIN Olutoba Emmanuel, IBRAHIM Asiata Omotayo, SEMIRE Banjo and ADEDAPO S. Adeyinka (2022) Computational Study on Anti-Matriptase Activities of Selected Heterocyclic Compounds to Down-Regulate Prostate Cancer. Journal of Xidian University. 16(2), 188-201 https://doi.org/10.37896/jxu16.2/016
  108. Adewusi John ADEPOJU, Dayo Felix LATONA, Oluwafemi Gbenga OLAFARE, Abel Kolawole OYEBAMIJI, Misbaudeen ABDUL-HAMMED and Banjo SEMIRE (2022) Molecular docking and pharmacokinetics studies of Curcuma longa (Curcumin) potency against Ebola virus. Ovidius University Annals of Chemistry. 33(1) 23 – 35. DOI: 10.2478/auoc-2022-0004
  109. Samson Olusegun Afolabi, Banjo Semire, Olubunmi Kolawole Akiode and MopelolaAbidemiIdowu (2022) Quantum study on the optoelectronic properties and chemical reactivity ofphenoxazine‑based organic photosensitizer for solar cell purposes. Theoretical ChemistryAccounts 141:22. https://doi.org/10.1007/s00214-022-02882-w
  110. Ibrahim Asiata Omotayo, Adepoju Adewusi John, Olafare Oluwafemi Gbenga, Abdul-HammedMisbaudeen, Latona Dayo Felix, Oyebamiji Abel Kolawole and Semire Banjo (2022) In-silicoassessment via molecular docking and ADMET profile of Botanical drugs (bergamottin andcasticin) against trial drugs for Lassa virus. International Journal of Pharmaceutical Sciencesand Research 13(9): 3494-3518. http://dx.doi.org/10.13040/IJPSR.0975-8232.13(9).3494-18
  111. Abel K. Oyebamiji, Emmanuel T. Akintayo, Banjo Semire, Kehinde A. Odelade, Babatunde O.Adetuyi, Amin Hafiz and Gaber E. Batiha (2022) In silico Investigation on Isatin (1H-indole-2,3-dione) Derivatives as Potential AntiTumor Necrosis Factor-Alpha. Tropical Journal ofNatural Product Research 6(11):1870-1875
  112. Moriam Dasola Adeoye, Abel Kolawole Oyebamiji, Mojeed Ayoola Ashiru, Rasheed Adewale Adigun, Olabisi HadijatOlalere, Banjo Semire, (2022) Biological evaluation of selected metronidazole derivatives as anti-nitroreductase via in silico approach.EcléticaQuímica Journal, 47(4), 27-36
  113. Oyebamiji A. K, Akintelu S. A, Akintayo E. T, Akintayo C. O, Semire B. and Faboro E. O (2022) Annona muricata L. A Plant with Vast Pharmaceutical Prospective: Phytochemistry and Pharmacology. Adeleke University Journal of Science (AUJS) 1(2), 538-554
  114. IBRAHIM Asiata Omotayo, SEMIRE Banjo, LATONA Dayo Felix, ADEPOJU Adewusi John,OYEBAMIJI Abel Kolawole, OWONIKOKO Abayomi Dele, OladujiTofunmi Emmanuel andODUNOLA Olusegun Ayobami (2023) In silico Investigations on Structure, Reactivity Indices,NLO properties and Bio -evaluation of 1-benzyl-2-phenyl-1H-benzimidazole derivatives usingDFT and Molecular Docking approaches. Biointerface Research in Applied Chemistry 13 (3)233. https://doi.org/10.33263/BRIAC133.233
  115. Peter Ifeoluwa Adegbola, Olumide Samuel Fadahunsi, Oluwasayo Esther Ogunjinmi, Aanuoluwa Eunice Adegbola, FiyinfoluwaDemiladeOjeniyi, Adetayo Adesanya, Emmanuel Olagoke, AyobamiDamilareAdisa, Adeola FolasadeEhigie, Adewale Adetutu. Banjo Semire (2023) Potential inhibitory properties of structurally modified quercetin/isohamnetin glucosides against SARS-CoV-2 Mpro; molecular docking and dynamics simulation strategies, Informatics in Medicine Unlocked 37, 101167, https://doi.org/10.1016/j.imu.2023.101167
  116. Abel Kolawole Oyebamiji, OluwatumininuAbosede Mutiu, FolakeAyobamiAmao, OlubukolaMonisolaOyawoye, Temitope A Oyedepo, Babatunde Benjamin Adeleke and Banjo Semire (2023) Dataset on Biochemical Inhibiting Activities of Selected Phytochemicals in Azadirachta indica L as Potential NS2B–NS3 Proteases Inhibitors Data in Brief 34 (2021) 106703. https://doi.org/10.1016/j.dib.2020.106703
  117. Banjo Semire, Samson Olusegun Afolabi, Dayo Felix Latona, Abel Kolawole Oyebamiji, MorianDasola Adeoye, Abayomi Dele Owonikoko, OyetundeMicheal Oyebamiji, Ibrahim Olasegun Abdulsalami and Olusegun AyobamiOdunola(2023)Quantum Chemical Elucidation on the Optoelectronic Properties of N2-(4-Aminophenyl)Pyridine-2,5-Diamine Based Dyes for Solar Cells Utilization. Chemistry Africa DOI: 10.1007/s42250-023-00674-8 
  118. Abel Kolawole Oyebamijia, Sunday Adewale Akintelu, Kehinde Abraham Odelade, Babatunde Adetuyi, Emmanuel Temitope Akintayoa, Cecillia Olufunke Akintayoa, Banjo Semire and Jonathan Oyebamiji Babalola (2023) Electron Withdrawing Group Effect on Biological Activities of Pyrimidine Hybrids as Potential Anti-Matrix Metalloproteinase-7. Quim. Nova, http://dx.doi.org/10.21577/0100-4042.20230055
  119. Ibrahim Asiata Omotayo, Semire Banjo, OladujiTofunmi Emmanuel, Latona Dayo Felix, Oyebamiji Abel Kolawole, Owonikoko Abayomi Dele, Abdulsalami Ibrahim Olasegun, Adeoye MoriamDasola and Odunola Olusegun Ayobami(2023) Molecular properties and In silico bioactivity evaluation of (4-fluorophenyl)[5)-3-phen-(4-nitrophenylyl-4,5-dihydro-1H-pyrazol-1-yl]methanone derivatives: DFT and molecular docking approaches. Journal of Taibah University Medical Sciences. 18(6), 1386-1405 https://doi.org/10.1016/j.jtumed.2023.05.011
  120. Abel Kolawole Oyebamiji, Jonathan Oyebamiji Babalola, Kehinde Abraham Odelade, Sunday Adewale Akintelu, OlubunmiAyoolaNubi, HalleluyahOluwatobiAworinde, Esther Faboro, Emmanuel Temitope Akintayo and Banjo Semire (2023) Potential inhibiting activities of phytochemicals in Scilla natalensis bulbs against schistosomiasis. EcléticaQuímica, 48(3), 54-80 DOI: 10.26850/1678-4618eqj.v48.3.2023.p54-80
  121. SEMIRE Banjo, ABDULSALAMI Ibrahim Olasegun, LATONA Dayo Felix, OYEBAMIJI Abel Kolawole, OWONIKOKO Abayomi Dele, Obiyenwa Kehinde Gabriel and ODUNOLA Olusegun Ayobami (2023) Effect of Seleno-thiophene π-linkers on Electronic and Photovoltaic properties of Boro-phenothiazine donors for DSSCs Application: TD-DFT and DFT methods. Russian Journal of Physical Chemistry A (Accepted)