Dr. Olatomide A. FADARE
CH 112, Organic Chemistry Research Laboratory, Department of Chemistry, White House Building, Obafemi Awolowo University Ile-Ife. firstname.lastname@example.org; email@example.com. +2347054075459
- Binding pose of one of the new virtual compounds, 14′b (pink) bound to serotonin reuptake transporter (SERT) upon molecular docking having most of it in the allosteric site of the protein and superimposed with escitalopram (green) in the allosteric site and a bit of it extending into the central site through the extracellular gate.
- Binding pose of the same compound 14‘b rendered as spheres depicting the complete blockade of the central site by virtue of its occupation of the allosteric site and extracellular gate.
The figures described above are excerpts from a recently accepted publication in the journal, “American Journal of Pharmacological Sciences”
I am interested in the design and development of new therapeutic agents by synthesis of heterocyclic scaffolds that may be substituted at various positions by different groups to create an array of compounds which may be screened for any particular pharmacological activity, in-silico, in-vitro or in-vivo with the aim of identifying a lead molecule which may be further optimized by synthetic modification.
- Organic Synthesis
- Spectroscopic analysis and interpretation of spectroscopic data
- In-vivo antimalarial study using Swiss white albino mice
- Computer Aided Drug Design (CADD) using molecular docking programs
- Homology modeling of proteins and Molecular Dynamic (MD) simulations
(A few softwares in chem/bioinformatics that I am proficient in)
- MGL tools
- Autodock vina
- Linux operating system
- Macintosh operating system
Higher Educational Institutions Attended with Dates and Degrees Obtained:
Obafemi Awolowo University, Ile-Ife (B.Sc., Organic) 2006
Obafemi Awolowo University, Ile-Ife (M.Sc., Organic) 2011
Obafemi Awolowo University, Ile-Ife (Ph.D., Organic) 2016
I am currently working on the development of new potential inhibitors of the Plasmodium falciparum transketolase. This work requires the construction of the homology model of the protein followed by molecular dynamics simulation to optimize the protein structure. The chosen target compounds are Schiff-bases of the ketone obtained from the oxidation of lanosterol. These target compounds have been docked with the transketolase to establish and identify the ones that have the most potential as inhibitors of the transketolase and possibly act as antimalarial agents. The in-silico part of this project has been completed and the synthesis aspect is in progress. There is a plan for in-vitro assay as well as in-vivo testing using animal models (Swiss, white albino mice).
- Theses/ Dissertations:
- Synthesis and Pharmacological Activities of some Quinoxaline -2,3-dione derivatives, B.Sc. Dissertation, Department of Chemistry, Obafemi Awolowo University, Ile-Ife, 2006.
- Synthesis and Evaluation of the Analgesic, Anti-inflammatory and Antioxidant Activities of (E)-2-benzyliden-1-ones (1-Indanone Chalcones) and their 2,4- dinitrophenyihydrazine Derivatives, M.Sc. Thesis, Department of Chemistry, Obafemi Awolowo University, Ile-Ife, 2011.
- Synthesis, Characterization and Antimalaria Studies of Some Mono Carbonyl Curcumin Analogs and their Aryl Hydrazone Derivatives, Ph.D. Thesis, Department of Chemistry, Obafemi Awolowo University, Ile-Ife, 2016.
- Fadare O.A., Adelani O, Ikotun A.A., Obafemi C.A. l 1-(4-methoxyphenyl)-3,3- dimethyl-2,3 ,4,5, 10,11 -hexahydro-lH-dibenzo[b,eJ [1 ,4jdiazepin- 1-one. Acta Crystallographica Section E, 2012.
- Obafemi C.A., Adelani P.O., Fadare O.A., Akinpelu D.A., Famuyiwa S.O., Synthesis, crystal structure and in-vitro antibacterial activity of 2,3a,8b-trihydroxy-3-(thiophen-2-ylcarbonyl)-2-(trifluoromethyl)-2,3,3a,8b-tetrahydro-4H-indeno[1,2-b]furan-4-one. Journal of Molecular Structure, 2013, 1049, 429-435.
- Fadare O.A., Akinpelu D.A., Ejemubu H., Obafemi C.A., 1-Indanone chalcones and their 2,4-dinitrophenylhydrazone derivatives: Synthesis, physicochemical properties and in-vitro antibacterial activity. African journal of pure and applied chemistry, 2014, 8(4), 68-77
- Fadare O.A., Durosimi O.M., Fadare R., Izevbekhai O.U., Awonyemi I.O., Obafemi C.A., ATR-FTIR and HPLC Spectroscopic Studies and Evaluation of Mineral Content of Carica papaya Leaves and Flowers, Journal of Phytomedicine, 2015, 1(1), 1-7.
- Faboro E.O., Wichitnithad W., Fadare O.A., Akinpelu D.A., Obafemi C.A., Antibacterial and antioxidant activities and phytochemical screening of aqueous methanol extracts of eight Nigerian medicinal and aromatic Plants, Journal of Pharmacy Research, 2016, 10(7):523-532.
- Balogun O., Fadare R.Y., Fadare O.A., Akinpelu D.A., Obafemi C.A., Chemical Composition and In-vitro Antibacterial Activity of the Essential Oil of Nigerian Moringa oleifera Lam. Flowers, European Journal of Medicinal Plants, 2017,
- Fadare O.A., Iwalewa E.O., Obafemi C.A., Olatunji F.P., In-silico Antimalarial Study of Monocarbonyl Curcumin Analogs and Their 2,4-Dinitro Phenylhydrazones Using the Inhibition of Plasmepsin II as Test Model, American Journal of Pharmacological Sciences, 2017, 5(2), 18-24.
- Agunbiade R.Y., Jasinski J.P., Sean P.M., Millikan S.P., Sanusi K., Yilmaz Y., Ceylan U., Fadare O.A., Obafemi C.A., Isolation, characterization, crystal structure, free radical scavengingand computational studies of 9-[4-(propan-2-yl)phenyl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione from Garcinia kola seeds, Journal of Molecular Structure, 2017, 1144, 396-405.
- Obafemi C.A., Fadare O.A., Balogun O., Obuotor E.M., Fadare R.Y., Ojo O.D., In vitro antioxidant activity and GC-MS analysis of solvent extracts of Kigelia africana stem bark, Journal of Pharmacy Research, 2017, 11(8), 973-982.
- Obafemi C.A., Fadare O.A., Jasinski J.P., Milikan S.P. Obuotor E.M., Iwalewa E.O., Famuyiwa S.O., Sanusi K., Yilmaz Y., Ceylan U., Microwave-assisted synthesis, structural characterization, DFT studies, antibacterial and antioxidant activity of 2-methyl-4-oxo-1,2,3,4-tetrahydroquinazoline-2-carboxylic acid, Journal of Molecular Structure, 2018, 1155, 610-622
- Oyasowo O., Fadare O.A., Olawuni J.I., Adeyanju M.M., Kolawole A.O., Obuotor E.M., Estimation of the Kinetic Parameters of the Inhibition of Tyrosinase by an Extract of Mombin (Root Bark) and the Investigation of Likely Interactions of Composite Phytochemicals Using Molecular Docking Calculations, American Journal of Pharmacological Sciences, 2018, 6(1), 13-18
- Oyesakin Y.M., George D.E., Fadare R.Y., Idris A.Y., Fadare O.A., Molecular Docking and In-Silico ADME Prediction of Substituted 4-(Styryl)-7,8-dihydroquinazolin-5(6H)-ones and 5-((E) styryl)pyrimido[4,5-d]pyrimidine- 2,4(1H,3H)-dione as Potential SERT Inhibitors and Antidepressants, accepted for publication at American Journal of Pharmacological Sciences.