Structure-based computational design of novel covalent binders for the treatment of sickle cell disease.

Autor: Ogunlana AT; Institute for Advanced Medical Research and Training, College of Medicine, University of Ibadan, Ibadan, Oyo State, Nigeria., Boyenle ID; Department of Chemistry and Biochemistry, University of Maryland, College Park, Maryland, USA., Ojo TO; Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso, Oyo State, Nigeria., Quadri BO; Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso, Oyo State, Nigeria., Elegbeleye OE; Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso, Oyo State, Nigeria., Ogbonna HN; Department of Biology and Biochemistry, University of Bath, UK., Ayoola SO; College of Medicine, University of Ibadan, Ibadan, Oyo State, Nigeria., Badmus IO; Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso, Oyo State, Nigeria., Manica AK; Department of Chemistry, University of New Haven, West Haven, CT, USA., Joshua KI; Department of Chemistry and Biochemistry, University of Maryland, College Park, Maryland, USA., Onikute OW; Institute for Advanced Medical Research and Training, College of Medicine, University of Ibadan, Ibadan, Oyo State, Nigeria., Anamelechi JP; Institute for Advanced Medical Research and Training, College of Medicine, University of Ibadan, Ibadan, Oyo State, Nigeria., Odetunde A; Institute for Advanced Medical Research and Training, College of Medicine, University of Ibadan, Ibadan, Oyo State, Nigeria., Falusi AG; Institute for Advanced Medical Research and Training, College of Medicine, University of Ibadan, Ibadan, Oyo State, Nigeria., Oyedele AK; Department of Chemistry, University of New Haven, West Haven, CT, USA. Electronic address: qkoyedele@student.lautech.edu.ng.

Publikováno v: Journal of molecular graphics & modelling [J Mol Graph Model] 2023 Nov; Vol. 124, pp. 108549. Date of Electronic Publication: 2023 Jun 17.

Docking covalent targets for drug discovery: stimulating the computer-aided drug design community of possible pitfalls and erroneous practices.

Autor: Oyedele AK; Computational Biology/Drug Discovery Laboratory, Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso, Nigeria.; Department of Chemistry, University of New Haven, West Haven, CT, USA., Ogunlana AT; Computational Biology/Drug Discovery Laboratory, Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso, Nigeria., Boyenle ID; Computational Biology/Drug Discovery Laboratory, Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso, Nigeria. idboyenle@student.lautech.edu.ng.; Department of Chemistry and Biochemsitry, University of Maryland, Maryland, USA. idboyenle@student.lautech.edu.ng.; College of Health Sciences, Crescent University, Abeokuta, Nigeria. idboyenle@student.lautech.edu.ng., Adeyemi AO; Department of Medical Laboratory Technology, Lagos State College of Health, Lagos, Nigeria., Rita TO; Department of Medical Laboratory Technology, Lagos State College of Health, Lagos, Nigeria., Adelusi TI; Computational Biology/Drug Discovery Laboratory, Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso, Nigeria., Abdul-Hammed M; Department of Pure and Applied Chemistry, Ladoke Akintola University of Technology, Ogbomoso, Nigeria., Elegbeleye OE; Computational Biology/Drug Discovery Laboratory, Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso, Nigeria., Odunitan TT; Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso, Nigeria.

Publikováno v: Molecular diversity [Mol Divers] 2023 Aug; Vol. 27 (4), pp. 1879-1903. Date of Electronic Publication: 2022 Sep 04.

Promising disruptors of p53-MDM2 dimerization from some medicinal plant phytochemicals: a molecular modeling study.

Autor: Oyedele AK; Computational Biology, Drug Discovery Laboratory, Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomosho, Nigeria.; Department of Biochemistry and Nutrition, Nigerian Institute of Medical Research (NIMR), Lagos, Nigeria., Adelusi TI; Computational Biology, Drug Discovery Laboratory, Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomosho, Nigeria., Ogunlana AT; Computational Biology, Drug Discovery Laboratory, Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomosho, Nigeria., Ayoola MA; Department of Chemical Sciences, Biochemistry Unit, College of Natural and Applied Science, Fountain University, Osogbo, Nigeria., Adeyemi RO; Computational Biology, Drug Discovery Laboratory, Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomosho, Nigeria., Babalola MO; Department of Biochemistry, University of Lagos, Lagos, Nigeria., Ayorinde JB; Department of Biochemistry and Nutrition, Nigerian Institute of Medical Research (NIMR), Lagos, Nigeria., Isong JA; Department of Biochemistry and Nutrition, Nigerian Institute of Medical Research (NIMR), Lagos, Nigeria., Ajasa TO; Computational Biology, Drug Discovery Laboratory, Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomosho, Nigeria., Boyenle ID; Computational Biology, Drug Discovery Laboratory, Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomosho, Nigeria.

Publikováno v: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2023 Jul-Aug; Vol. 41 (12), pp. 5817-5826. Date of Electronic Publication: 2022 Jul 13.

GCMS fingerprints and phenolic extracts of Allium sativum inhibit key enzymes associated with type 2 diabetes.

Autor: Adelusi TI; Computational Biology/Drug Discovery Laboratory, Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso, Nigeria.; Department of Biochemistry, Ladoke Akintola University of Technology, Nigeria., Boyenle ID; Computational Biology/Drug Discovery Laboratory, Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso, Nigeria.; College of Health Sciences, Crescent University, Abeokuta, Nigeria., Tolulope A; Computational Biology/Drug Discovery Laboratory, Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso, Nigeria., Adebisi J; Department of Biochemistry, Ladoke Akintola University of Technology, Nigeria., Fatoki JO; Department of Medical Biochemistry, Faculty of Basic Medical Sciences, Osogbo, Osun State, Nigeria., Ukachi CD; Computational Biology/Drug Discovery Laboratory, Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso, Nigeria., Oyedele AK; Computational Biology/Drug Discovery Laboratory, Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso, Nigeria.; Nigerian Institute of Medical Research, Lagos, Nigeria., Ayoola AM; Department of Chemical Sciences, Biochemistry Unit, College of Natural and Applied Sciences, Fountain University, Osogbo, Nigeria., Timothy AA; Computational Biology/Drug Discovery Laboratory, Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso, Nigeria.

Publikováno v: Journal of Taibah University Medical Sciences [J Taibah Univ Med Sci] 2022 Oct 11; Vol. 18 (2), pp. 337-347. Date of Electronic Publication: 2022 Oct 11 (Print Publication: 2023).

Targeting the mitochondrial permeability transition pore for drug discovery: Challenges and opportunities.

Autor: Boyenle ID; Membrane Biochemistry and Biophysics Research Laboratory, Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso, Nigeria; Computational Biology/Drug Discovery Laboratory, Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso, Nigeria., Oyedele AK; Computational Biology/Drug Discovery Laboratory, Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso, Nigeria., Ogunlana AT; Computational Biology/Drug Discovery Laboratory, Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso, Nigeria., Adeyemo AF; Membrane Biochemistry and Biophysics Research Laboratory, Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso, Nigeria., Oyelere FS; Institute of Biomedical Research, Universität de Lleida, Spain., Akinola OB; Membrane Biochemistry and Biophysics Research Laboratory, Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso, Nigeria., Adelusi TI; Computational Biology/Drug Discovery Laboratory, Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso, Nigeria., Ehigie LO; Computational Biology/Drug Discovery Laboratory, Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso, Nigeria., Ehigie AF; Membrane Biochemistry and Biophysics Research Laboratory, Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso, Nigeria. Electronic address: afehigie@lautech.edu.ng.

Publikováno v: Mitochondrion [Mitochondrion] 2022 Mar; Vol. 63, pp. 57-71. Date of Electronic Publication: 2022 Jan 22.