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List of works by Fisayo A Olotu

'Piperazining' the catalytic gatekeepers: unraveling the pan-inhibition of SRC kinases; LYN, FYN and BLK by masitinib

scientific article published on 13 September 2019

A novel compound purified from Alstonia boonei inhibits Plasmodium falciparum lactate dehydrogenase and plasmepsin II

scientific article published on 24 December 2018

Across the blood-brain barrier: Neurotherapeutic screening and characterization of naringenin as a novel CRMP-2 inhibitor in the treatment of Alzheimer's disease using bioinformatics and computational tools.

scientific article

Alcohol Metabolic Inefficiency: Structural Characterization of Polymorphism-Induced ALDH2 Dysfunctionality and Allosteric Site Identification for Design of Potential Wildtype Reactivators.

scientific article published on 12 April 2018

Allosteric inhibition abrogates dysregulated LFA-1 activation: Structural insight into mechanisms of diminished immunologic disease

scientific article published on 5 February 2018

An update on the discovery and development of selective heat shock protein inhibitors as anti-cancer therapy

scientific article published on 12 September 2018

Broadening the horizon: Integrative pharmacophore-based and cheminformatics screening of novel chemical modulators of mitochondria ATP synthase towards interventive Alzheimer's disease therapy

scientific article published on 11 June 2019

CF3 -Pyridinyl Substitution on Antimalarial Therapeutics: Probing Differential Ligand Binding and Dynamical Inhibitory Effects of a Novel Triazolopyrimidine-Based Inhibitor on Plasmodium falciparum Dihydroorotate Dehydrogenase

scientific article published on 11 November 2019

Covalent Inhibition in Drug Discovery: Filling the Void in Literature

scientific article published on 01 January 2018

Covalent simulations of covalent/irreversible enzyme inhibition in drug discovery: a reliable technical protocol

scientific article published on 01 October 2018

Cover Image, Volume 119, Number 3, March 2018.

scientific article

Deciphering the 'Elixir of Life': Dynamic Perspectives into the Allosteric Modulation of Mitochondrial ATP Synthase by J147, a Novel Drug in the Treatment of Alzheimer's Disease

scientific article published on 28 May 2019

Deciphering the canonical blockade of activated Hageman factor (FXIIa) by benzamidine in the coagulation cascade: A thorough dynamical perspective

scientific article published on 21 July 2019

Does Size Really Matter? Probing the Efficacy of Structural Reduction in the Optimization of Bioderived Compounds - A Computational "Proof-of-Concept"

scientific article published on 23 November 2018

Drug promiscuity: Exploring the polypharmacology potential of 1, 3, 6-trisubstituted 1, 4-diazepane-7-ones as an inhibitor of the 'god father' of immune checkpoint

scientific article published on 22 May 2019

Dual drug targeting of mutant Bcr-Abl induces inactive conformation: New strategy for the treatment of chronic myeloid leukemia and overcoming monotherapy resistance

scientific article

Dynamic perspectives into the mechanisms of mutation-induced p53-DNA binding loss and inactivation using active perturbation theory: Structural and molecular insights toward the design of potent reactivators in cancer therapy

scientific article published on 30 August 2018

Dynamics of allosteric modulation of lymphocyte function associated antigen-1 closure-open switch: unveiling the structural mechanisms associated with outside-in signaling activation

scientific article published on 16 September 2017

Exploring the C-terminal tail dynamics: Structural and molecular perspectives into the therapeutic activities of novel CRMP-2 inhibitors, Naringenin and Naringenin-7-O- glucuronide, in the treatment of Alzheimer's disease

scientific article published on 05 December 2018

Exploring the Lapse in Druggability: Sequence Analysis, Structural Dynamics and Binding Site Characterization of K-RasG12C Variant, a Feasible Oncotherapeutics Target

scientific article published on 01 January 2018

From mutational inactivation to aberrant gain-of-function: Unraveling the structural basis of mutant p53 oncogenic transition

scientific article

From the Explored to the Unexplored: Computer-Tailored Drug Design Attempts in the Discovery of Selective Caspase Inhibitors

scientific article published on 01 January 2019

Halting ionic shuttle to disrupt the synthetic machinery-Structural and molecular insights into the inhibitory roles of Bedaquiline towards Mycobacterium tuberculosis ATP synthase in the treatment of tuberculosis

scientific article published on 24 May 2019

Identification of highly potent and selective Cdc25 protein phosphatases inhibitors from miniaturization click-chemistry-based combinatorial libraries

scientific article published on 14 September 2019

Microbes, not humans: exploring the molecular basis of Pseudouridimycin selectivity towards bacterial and not human RNA polymerase

scientific article published on 30 October 2018

Probing Binding Landscapes and Molecular Recognition Mechanisms of Atypical Antipsychotic Drugs towards the Selective Targeting of D2 Dopamine Receptor

scientific article published on 21 August 2019

Probing Gallate-Mediated Selectivity and High-Affinity Binding of Epigallocatechin Gallate: a Way-Forward in the Design of Selective Inhibitors for Anti-apoptotic Bcl-2 Proteins

scientific article published on 29 August 2018

Revealing the distinct mechanistic binding and activity of 5-(1-(3,5-dichloropyridin-4-yl)ethoxy)-3-(5-(4-methylpiperazin-1-yl)-1H-benzo[d]imidazol-2-yl)-1H-indazole enantiomers against FGFR1

scientific article published on 01 July 2019

Same Target, Different Therapeutic Outcomes: The Case of CAY10471 and Fevipiprant on CRTh2 Receptor in Treatment of Allergic Rhinitis and Asthma

scientific article published on 01 January 2019

Solving the riddle: Unraveling the mechanisms of blocking the binding of leukotoxin by therapeutic antagonists in periodontal diseases

scientific article published on 20 August 2018

The irony of chirality - unveiling the distinct mechanistic binding and activities of 1-(3-(4-amino-5-(7-methoxy-5-methylbenzo[b]thiophen-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidin-1-yl)prop-2-en-1-one enantiomers as irreversible covalent FGFR

scientific article published on 01 January 2019

Turning to Computer-aided Drug Design in the Treatment of Diffuse Large B-cell Lymphoma: Has it been Helpful?

scientific article published on 01 January 2019

Tweaking α-galactoceramides: Probing the dynamical mechanisms of improved recognition for invariant natural killer T-cell receptor in cancer immunotherapeutics

scientific article published on 17 November 2019

Zoning in on Tankyrases: A Brief Review on the Past, Present and Prospective Studies

scientific article published on 01 January 2019

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