Fisayo A Olotu

Affiliations

Molecular Bio-computation and Drug Design Laboratory, School of Health Sciences, University of KwaZulu-Natal, Durban, South Africa.

Publications (41)

Revealing the role of fluorine pharmacophore in chalcone scaffold for shifting the MAO-B selectivity: investigation of a detailed molecular dynamics and quantum chemical study.

Journal of biomolecular structure & dynamics

Avec: Fisayo A Olotu , Monu Joy , Mohamed A Abdelgawad , Siju E Narayanan , Mahmoud E Soliman , Bijo Mathew

Impact of HEC72702 chirality on the selective inhibition of hepatitis B virus capsid dimer: A dynamics-structure-energetics perspective.

Chemical biology & drug design

Avec: Abdolkarim Farrokhzadeh , Farideh Badichi Akher , Fisayo A Olotu , Fanie R Van Heerden

In Silico Repurposing of J147 for Neonatal Encephalopathy Treatment: Exploring Molecular Mechanisms of Mutant Mitochondrial ATP Synthase.

Current pharmaceutical biotechnology

Avec: Iwuchukwu A Emmanuel , Fisayo A Olotu , Clement Agoni , Mahmoud E S Soliman

Exploring the ring potential of 2,4-diaminopyrimidine derivatives towards the identification of novel caspase-1 inhibitors in Alzheimer's disease therapy.

Journal of molecular modeling

Avec: Ransford Oduro Kumi , Opeyemi S Soremekun , Abdul Rashid Issahaku , Clement Agoni , Fisayo A Olotu , Mahmoud E S Soliman

Probing Binding Landscapes and Molecular Recognition Mechanisms of Atypical Antipsychotic Drugs towards the Selective Targeting of D

Molecular informatics

Avec: Patrick Appiah-Kubi , Fisayo Andrew Olotu , Mahmoud E S Soliman

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.

Applied biochemistry and biotechnology

Avec: Fisayo A Olotu , Clement Agoni , Emmanuel Adeniji , Maryam Abdullahi , Mahmoud E Soliman

Exploiting the tolerant region I of the non-nucleoside reverse transcriptase inhibitor (NNRTI) binding pocket. Part 2: Discovery of diarylpyrimidine derivatives as potent HIV-1 NNRTIs with high Fsp

European journal of medicinal chemistry

Avec: Xiangyi Jiang , Boshi Huang , Fisayo A Olotu , Jing Li , Dongwei Kang , Zhao Wang , Erik De Clercq , Mahmoud E S Soliman , Christophe Pannecouque , Xinyong Liu , Peng Zhan

East to West not North-West: Structure-Based Mechanistic Resolution of 8-Hydroxyl Replacement and Resulting Effects on the Activities of Imidazole-Based Heme Oxygenase-1 Inhibitors.

The protein journal

Avec: Felix O Okunlola , Opeyemi S Soremekun , Fisayo A Olotu , Mahmoud E S Soliman

Therapeutic Path to Double Knockout: Investigating the Selective Dual-Inhibitory Mechanisms of Adenosine Receptors A1 and A2 by a Novel Methoxy-Substituted Benzofuran Derivative in the Treatment of Parkinson's Disease.

Cell biochemistry and biophysics

Avec: Temitayo I Subair , Opeyemi S Soremekun , Fisayo A Olotu , Mahmoud E S Soliman

Insight into the Therapeutic Potential of a Bicyclic Hydroxypyridone Compound 2-[(2,4-Dichlorophenyl)methyl]-7-hydroxy-1,2,3,4-tetrahydro-8H-pyrido[1,2-a]pyrazin-8-one as COMT Inhibitor in the Treatment of Parkinson's Disease: A Molecular Dynamic Simulation Approach.

Chemistry & biodiversity

Avec: Temitayo I Subair , Oluwole B Akawa , Opeyemi S Soremekun , Fisayo A Olotu , Mahmoud E S Soliman

Molecular Basis of P131 Cryptosporidial-IMPDH Selectivity-A Structural, Dynamical and Mechanistic Stance.

Cell biochemistry and biophysics

Avec: Kehinde F Omolabi , Clement Agoni , Fisayo A Olotu , Mahmoud E S Soliman

A probable means to an end: exploring P131 pharmacophoric scaffold to identify potential inhibitors of Cryptosporidium parvum inosine monophosphate dehydrogenase.

Journal of molecular modeling

Avec: Kehinde F Omolabi , Emmanuel A Iwuchukwu , Clement Agoni , Fisayo A Olotu , Mahmoud E S Soliman

Tweaking α -Galactoceramides: Probing the Dynamical Mechanisms of Improved Recognition for Invariant Natural Killer T-cell Receptor in Cancer Immunotherapeutics.

Current pharmaceutical biotechnology

Avec: Houda Washah , Clement Agoni , Fisayo A Olotu , Geraldene Munsamy , Mahmoud E S Soliman

A Mechanistic Probe into the Dual Inhibition of T. cruzi Glucokinase and Hexokinase in Chagas Disease Treatment - A Stone Killing Two Birds?

Chemistry & biodiversity

Avec: Kehinde F Omolabi , Paul O Odeniran , Fisayo A Olotu , Mahmoud E S Soliman

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

Combinatorial chemistry & high throughput screening

Avec: Ransford O Kumi , Abdul R Issahaku , Opeyemi S Soremekun , Clement Agoni , Fisayo A Olotu , Mahmoud E S Soliman

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

Anti-cancer agents in medicinal chemistry

Avec: Aimen K Aljoundi , Clement Agoni , Fisayo A Olotu , Mahmoud E S Soliman

Lipid-Embedded Molecular Dynamics Simulation Model for Exploring the Reverse Prostaglandin D2 Agonism of CT-133 towards CRTH2 in the Treatment of Type-2 Inflammation Dependent Diseases.

Chemistry & biodiversity

Avec: Abdul Rashid Issahaku , Clement Agoni , Ransford O Kumi , Fisayo A Olotu , Mahmoud E S Soliman

Probing Protein-protein Interactions and Druggable Site Identification: Mechanistic Binding Events Between Ubiquitin and Zinc Finger with UFM1-specific Peptidase Domain Protein (ZUFSP).

Combinatorial chemistry & high throughput screening

Avec: Mary B Ajadi , Opeyemi S Soremekun , Ahmed A Elrashedy , Fisayo A Olotu , Hezekiel M Kumalo , Mahmoud E S Soliman

Prospecting the therapeutic edge of a novel compound (B12) over berberine in the selective targeting of Retinoid X Receptor in colon cancer.

Journal of molecular modeling

Avec: Temitayo I Subair , Opeyemi S Soremekun , Fisayo A Olotu , Mahmoud E S Soliman

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

Anti-cancer agents in medicinal chemistry

Avec: Xylia Q Peters , Thembeka H Malinga , Clement Agoni , Fisayo A Olotu , Mahmoud E S Soliman

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

European journal of medicinal chemistry

Avec: Lanlan Jing , Gaochan Wu , Xia Hao , Fisayo A Olotu , Dongwei Kang , Chin Ho Chen , Kuo-Hsiung Lee , Mahmoud E S Soliman , Xinyong Liu , Yuning Song , Peng Zhan

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.

Journal of cellular biochemistry

Avec: Fisayo A Olotu , Mahmoud E S Soliman

CF

Chemistry & biodiversity

Avec: Clement Agoni , Elliasu Y Salifu , Geraldene Munsamy , Fisayo A Olotu , Mahmoud Soliman

Druggability and drug-likeness concepts in drug design: are biomodelling and predictive tools having their say?

Journal of molecular modeling

Avec: Clement Agoni , Fisayo A Olotu , Pritika Ramharack , Mahmoud E Soliman

Integrating Bioinformatics Strategies in Cancer Immunotherapy: Current and Future Perspectives.

Combinatorial chemistry & high throughput screening

Avec: Houda N Washah , Elliasu Y Salifu , Opeyemi Soremekun , Ahmed A Elrashedy , Geraldene Munsamy , Fisayo A Olotu , Mahmoud E S Soliman

Leaving no stone unturned: Allosteric targeting of SARS-CoV-2 spike protein at putative druggable sites disrupts human angiotensin-converting enzyme interactions at the receptor binding domain.

Informatics in medicine unlocked

Avec: Fisayo A Olotu , Kehinde F Omolabi , Mahmoud E S Soliman

Design, synthesis, and evaluation of "dual-site"-binding diarylpyrimidines targeting both NNIBP and the NNRTI adjacent site of the HIV-1 reverse transcriptase.

European journal of medicinal chemistry

Avec: Da Feng , Xiaofang Zuo , Lanlan Jing , Chin-Ho Chen , Fisayo A Olotu , Hao Lin , Mahmoud Soliman , Erik De Clercq , Christophe Pannecouque , Kuo-Hsiung Lee , Dongwei Kang , Xinyong Liu , Peng Zhan

Investigating the Mechanistic Inhibitory Discrepancies of Novel Halogen and Alkyl Di-Substituted Oxadiazole-Based Dibenzo-Azepine-Dione Derivatives on Poly (ADP-Ribose) Polymerase-1.

Chemistry & biodiversity

Avec: Felix O Okunlola , Opeyemi S Soremekun , Fisayo A Olotu , Mahmoud E S Soliman

From a Computational Perspective: Elucidating the Neurotherapeutic and Inhibitory properties of LRRK2 Kinase Domain by a benzothiazole-based compound.

Current pharmaceutical biotechnology

Avec: Temitayo I Subair , Opeyemi S Soremekun , Fisayo A Olotu , Mahmoud E S Soliman

The recent application of 3D-QSAR and docking studies to novel HIV-protease inhibitor drug discovery.

Expert opinion on drug discovery

Avec: Fisayo A Olotu , Clement Agoni , Opeyemi Soremekun , Mahmoud E S Soliman

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 FGFR4 inhibitors.

Organic & biomolecular chemistry

Avec: Farideh Badichi Akher , Abdolkarim Farrokhzadeh , Fisayo A Olotu , Clement Agoni , Mahmoud E S Soliman

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.

Chemistry & biodiversity

Avec: Iwuchukwu A Emmanuel , Fisayo A Olotu , Clement Agoni , Mahmoud E S Soliman

Piecing the Fragments Together: Dynamical Insights into the Enhancement of BRD4-BD1 (BET Protein) Druggability in Cancer Chemotherapy Using Novel 8-methyl-pyrrolo[1,2-a]pyrazin-1(2H)-one Derivatives.

Current pharmaceutical biotechnology

Avec: Oluwole B Akawa , Opeyemi S Soremekun , Fisayo A Olotu , Mahmoud E S Solima

Withdrawal Notice: Elucidating the Disparate Inhibitory Mechanisms of Novel 1-Heteroaryl-1,3-Propanediamine Derivatives and Maraviroc towards C-C Chemokine Receptor 5: Insights for Structural Modifications in HIV-1 Drug Discovery

Medicinal chemistry (Shariqah (United Arab Emirates))

Avec: Patrick Appiah-Kubi , Fisayo Andrew Olotu , Mahmoud E S Soliman

Triple Mycobacterial ATP-synthase mutations impedes Bedaquiline binding: Atomistic and structural perspectives.

Computational biology and chemistry

Avec: Elliasu Y Salifu , Clement Agoni , Fisayo A Olotu , Mahmoud E S Soliman

Atomistic insights into the selective therapeutic activity of 6-(2,4-difluorophenoxy)-5-((ethylmethyl)pyridine-3-yl)-8-methylpyrrolo[1,2-a]pyrazin-1(2H)-one towards bromodomain-containing proteins.

Computational biology and chemistry

Avec: Oluwole B Akawa , Opeyemi S Soremekun , Fisayo A Olotu , Mahmoud E S Soliman

Integrative immunoinformatics paradigm for predicting potential B-cell and T-cell epitopes as viable candidates for subunit vaccine design against COVID-19 virulence.

Biomedical journal

Avec: Vyshnavie R Sarma , Fisayo A Olotu , Mahmoud E S Soliman

Unveiling the mechanistic roles of chlorine substituted phthalazinone-based compounds containing chlorophenyl moiety towards the differential inhibition of poly (ADP-ribose) polymerase-1 in the treatment of lung cancer.

Journal of biomolecular structure & dynamics

Avec: Felix O Okunlola , Fisayo A Olotu , Mahmoud E S Soliman

Deciphering the molecular mechanisms of selective non-covalency demonstrated differentially by 9-Allylnaphtho[1,8-ef]isoindole-7,8,10(9H)-trione (C11) against fibroblast growth factor receptors 1-4.

Journal of biomolecular structure & dynamics

Avec: Fisayo A Olotu , Mahmoud E S Soliman

Structural alterations in the catalytic core of hSIRT2 enzyme predict therapeutic benefits of

RSC advances

Avec: Oluwole B Akawa , Temitayo I Subair , Opeyemi S Soremekun , Fisayo A Olotu , Mahmoud E S Soliman

'Polymorphism-aided' Selective Targeting and Inhibition of Caspase-6 by a Novel Allosteric Inhibitor Towards Efficient Alzheimer's Disease Treatment.

Cell biochemistry and biophysics

Avec: Ransford Oduro Kumi , Clement Agoni , Abdul Rashid Issahaku , Fisayo A Olotu , Mahmoud E S Soliman

Réseau de co-auteurs

Mahmoud E S Soliman 34 collaborations

Clement Agoni 17 collaborations

Opeyemi S Soremekun 12 collaborations

Temitayo I Subair 5 collaborations

Oluwole B Akawa 4 collaborations

Kehinde F Omolabi 4 collaborations

Mahmoud E Soliman 3 collaborations

Abdul Rashid Issahaku 3 collaborations

Dongwei Kang 3 collaborations

Xinyong Liu 3 collaborations

Peng Zhan 3 collaborations

Felix O Okunlola 3 collaborations

Geraldene Munsamy 3 collaborations

Elliasu Y Salifu 3 collaborations

Abdolkarim Farrokhzadeh 2 collaborations

Farideh Badichi Akher 2 collaborations

Iwuchukwu A Emmanuel 2 collaborations

Ransford Oduro Kumi 2 collaborations

Patrick Appiah-Kubi 2 collaborations

Fisayo Andrew Olotu 2 collaborations

Erik De Clercq 2 collaborations

Christophe Pannecouque 2 collaborations

Ransford O Kumi 2 collaborations

Ahmed A Elrashedy 2 collaborations

Lanlan Jing 2 collaborations

Kuo-Hsiung Lee 2 collaborations

Mahmoud Soliman 2 collaborations

Opeyemi Soremekun 2 collaborations

Monu Joy 1 collaboration

Mohamed A Abdelgawad 1 collaboration

Siju E Narayanan 1 collaboration

Bijo Mathew 1 collaboration

Fanie R Van Heerden 1 collaboration

Emmanuel Adeniji 1 collaboration

Maryam Abdullahi 1 collaboration

Xiangyi Jiang 1 collaboration

Boshi Huang 1 collaboration

Jing Li 1 collaboration

Zhao Wang 1 collaboration

Emmanuel A Iwuchukwu 1 collaboration

Houda Washah 1 collaboration

Paul O Odeniran 1 collaboration

Abdul R Issahaku 1 collaboration

Aimen K Aljoundi 1 collaboration

Mary B Ajadi 1 collaboration

Hezekiel M Kumalo 1 collaboration

Xylia Q Peters 1 collaboration

Thembeka H Malinga 1 collaboration

Gaochan Wu 1 collaboration

Xia Hao 1 collaboration

Chin Ho Chen 1 collaboration

Yuning Song 1 collaboration

Pritika Ramharack 1 collaboration

Houda N Washah 1 collaboration

Da Feng 1 collaboration

Xiaofang Zuo 1 collaboration

Chin-Ho Chen 1 collaboration

Hao Lin 1 collaboration

Mahmoud E S Solima 1 collaboration

Vyshnavie R Sarma 1 collaboration