Clement Agoni

Affiliations

Molecular Bio-computation and Drug Design Laboratory, School of Health Sciences, University of KwaZulu-Natal, Westville Campus , Durban, 4001, South Africa.

Publications (54)

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

Identification of potential SARS-CoV-2 inhibitors from South African medicinal plant extracts using molecular modelling approaches.

South African journal of botany : official journal of the South African Association of Botanists = Suid-Afrikaanse tydskrif vir plantkunde : amptelike tydskrif van die Suid-Afrikaanse Genootskap van Plantkundiges

Avec: Depika Dwarka , Clement Agoni , John Jason Mellem , Mahmoud E Soliman , Himansu Baijnath

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

Medical hypotheses

Avec: Iwuchukwu A Emmanuel , Fisayo Olotu , Clement Agoni , 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

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

The Binding of Remdesivir to SARS-CoV-2 RNA-Dependent RNA Polymerase May Pave The Way Towards the Design of Potential Drugs for COVID-19 Treatment.

Current pharmaceutical biotechnology

Avec: Clement Agoni , Mahmoud E S Soliman

Conjugated Dienones from Differently Substituted Cinnamaldehyde as Highly Potent Monoamine Oxidase-B Inhibitors: Synthesis, Biochemistry, and Computational Chemistry.

ACS omega

Avec: Bijo Mathew , Jong Min Oh , Mohamed A Abdelgawad , Ahmed Khames , Mohammed M Ghoneim , Sunil Kumar , Lekshmi R Nath , Sachithra Thazhathuveedu Sudevan , Della Grace Thomas Parambi , Clement Agoni , Mahmoud E S Soliman , Hoon Kim

Characterization of the binding of MRTX1133 as an avenue for the discovery of potential KRAS

Scientific reports

Avec: Abdul Rashid Issahaku , Namutula Mukelabai , Clement Agoni , Mithun Rudrapal , Sahar M Aldosari , Sami G Almalki , Johra Khan

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

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

Human Rhinovirus Inhibition Through Capsid "Canyon" Perturbation: Structural Insights into The Role of a Novel Benzothiophene Derivative.

Cell biochemistry and biophysics

Avec: Clement Agoni , Pritika Ramharack , Geraldene Munsamy , Mahmoud E S Soliman

The Dual-Targeting Activity of the Metabolite Substrate of Para-amino Salicyclic Acid in the Mycobacterial Folate Pathway: Atomistic and Structural Perspectives.

The protein journal

Avec: Clement Agoni , Pritika Ramharack , Elliasu Y Salifu , Mahmoud E S Soliman

Dual-Knockout of Mutant Isocitrate Dehydrogenase 1 and 2 Subtypes Towards Glioma Therapy: Structural Mechanistic Insights on the Role of Vorasidenib.

Chemistry & biodiversity

Avec: Preantha Poonan , Clement Agoni , Mahmoud E S Soliman

Prioritizing the Catalytic Gatekeepers through Pan- Inhibitory Mechanism of Entrectinib against ALK, ROS1 and TRKA Tyrosine Kinases.

Cell biochemistry and biophysics

Avec: Elliasu Y Salifu , Abdul Rashid Issahaku , Clement Agoni , Mahmoud A A Ibrahim , Nlooto Manimbulu , Mahmoud E S Soliman

Structural Insights into the Role of Pseudouridimycin Binding in Disruption of Bacterial RNA Polymerase Bridge Helix Conformational Arrangement.

Current pharmaceutical biotechnology

Avec: Ali H Rabbad , Clement Agoni , Mahmoud E Soliman

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

A dual target of Plasmepsin IX and X: Unveiling the atomistic superiority of a core chemical scaffold in malaria therapy.

Journal of cellular biochemistry

Avec: Geraldene Munsamy , Clement Agoni , 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

Glioma-Targeted Therapeutics: Computer-Aided Drug Design Prospective.

The protein journal

Avec: Preantha Poonan , Clement Agoni , Mahmoud A A Ibrahim , Mahmoud E S Soliman

Unravelling the Structural Mechanism of Action of 5-methyl-5-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]imidazolidine-2,4-dione in Dual-Targeting Tankyrase 1 and 2: A Novel Avenue in Cancer Therapy.

Cell biochemistry and biophysics

Avec: Xylia Q Peters , Clement Agoni , Mahmoud E S Soliman

Computational Screening of Neuropilin-1 Unveils Novel Potential Anti-SARS-CoV-2 Therapeutics.

Chemistry & biodiversity

Avec: Michael Afiadenyo , Latif Adams , Clement Agoni , Siobhan Moane , Michelle Mckeon-Bennett , Dorcas Obiri-Yeboah , Jasdeep Singh

Molecular Modelling and Atomistic Insights into the Binding Mechanism of MmpL3 Mtb.

Chemistry & biodiversity

Avec: Samuel K Kwofie , George Hanson , Henrietta Sasu , Kweku S Enninful , Francis A Mensah , Richmond T Nortey , Omane P Yeboah , Clement Agoni , Michael D Wilson

Repurposing antiviral phytochemicals from the leaf extracts of Spondias mombin (Linn) towards the identification of potential SARSCOV-2 inhibitors.

Scientific reports

Avec: Akwasi Boadu , Clement Agoni , Rajshekhar Karpoormath , Mahmoud Soliman , Manimbulu Nlooto

Modelling the Transitioning of SARS-CoV-2 nsp3 and nsp4 Lumenal Regions towards a More Stable State on Complex Formation.

International journal of molecular sciences

Avec: Nele Klatte , Denis C Shields , Clement Agoni

AutoPeptideML: A study on how to build more trustworthy peptide bioactivity predictors.

Bioinformatics (Oxford, England)

Avec: Raúl Fernández-Díaz , Rodrigo Cossio-Pérez , Clement Agoni , Thanh Lam Hoang , Vanessa Lopez , Denis C Shields

An Update on the Pharmacological Usage of Curcumin: Has it Failed in the Drug Discovery Pipeline?

Cell biochemistry and biophysics

Avec: Fisayo Olotu , Clement Agoni , Opeyemi Soremekun , 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

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

Chemical biology & drug design

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

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.

Computational biology and chemistry

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

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.

Journal of cellular biochemistry

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

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

Combinatorial chemistry & high throughput screening

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

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

Biotechnology letters

Avec: Ali H Rabbad , Clement Agoni , Fisayo A Olotu , Mahmoud E Soliman

Novel Sunifiram-carbamate hybrids as potential dual acetylcholinesterase inhibitor and NMDAR co-agonist: simulation-guided analogue design and pharmacological screening.

Journal of enzyme inhibition and medicinal chemistry

Avec: Khalid A Agha , Nader E Abo-Dya , Abdul Rashid Issahaku , Clement Agoni , Mahmoud E S Soliman , Eatedal H Abdel-Aal , Zakaria K Abdel-Samii , Tarek S Ibrahim

Extended Double Bond Conjugation in the Chalcone Framework Favours MAO-B Inhibition: A Structural Perspective on Molecular Dynamics.

Combinatorial chemistry & high throughput screening

Avec: Clement Agoni , Abdul Rashid Issahaku , Mohamed A Abdelgawad , Ahmed Khames , Mahmoud E S Soliman , Bijo Mathew

Dual-Target

International journal of molecular sciences

Avec: Pritika Ramharack , Elliasu Y Salifu , Clement Agoni

Knowledge and utilization of family planning services among tertiary students in Northern Ghana: The case of College of Nursing and Midwifery, Nalerigu.

African journal of reproductive health

Avec: Zaratu Sulemana , Sinalo Gqunu , Francis Abobo , Hilda Halm , Nat Obour Awuku , Ransford Kumi , Bright Amoore , Richard Ephraim , Duah Duah , Clement Agoni

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

Influenza Viruses: Harnessing the Crucial Role of the M2 Ion-Channel and Neuraminidase toward Inhibitor Design.

Molecules (Basel, Switzerland)

Avec: Sphamadla E Mtambo , Daniel G Amoako , Anou M Somboro , Clement Agoni , Monsurat M Lawal , Nelisiwe S Gumede , Rene B Khan , Hezekiel M Kumalo

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

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

Journal of biomolecular structure & dynamics

Avec: Mithun Rudrapal , Abdul Rashid Issahaku , Clement Agoni , Atul R Bendale , Akhil Nagar , Mahmoud E S Soliman , Deepak Lokwani

Replacement of Chalcone-Ethers with Chalcone-Thioethers as Potent and Highly Selective Monoamine Oxidase-B Inhibitors and Their Protein-Ligand Interactions.

Pharmaceuticals (Basel, Switzerland)

Avec: Bijo Mathew , Jong Min Oh , Ahmed Khames , Mohamed A Abdelgawad , T M Rangarajan , Lekshmi R Nath , Clement Agoni , Mahmoud E S Soliman , Githa Elizabeth Mathew , Hoon Kim

Dual-Inhibition of Human N-Myristoyltransferase Subtypes Halts Common Cold Pathogenesis: Atomistic Perspectives from the Case of IMP-1088.

Chemistry & biodiversity

Avec: Clement Agoni , Elliasu Y Salifu , Gill Enslin , Samuel K Kwofie , Mahmoud E Soliman

Assessment of urogenital schistosomiasis among basic school children in selected communities along major rivers in the central region of Ghana.

The Pan African medical journal

Avec: Evans Duah , Ernest Kenu , Edward Morkporkpor Adela , Hilda Adjoa Halm , Clement Agoni , Ransford Oduro Kumi

Mesembryanthemum tortuosum L. alkaloids modify anxiety-like behaviour in a zebrafish model.

Journal of ethnopharmacology

Avec: Veronica B Maphanga , Krystyna Skalicka-Wozniak , Barbara Budzynska , Andriana Skiba , Weiyang Chen , Clement Agoni , Gill M Enslin , Alvaro M Viljoen

Multi-dimensional structural footprint identification for the design of potential scaffolds targeting METTL3 in cancer treatment from natural compounds.

Journal of molecular modeling

Avec: Abdul Rashid Issahaku , Samukelisiwe Minenhle Mncube , Clement Agoni , Samuel K Kwofie , Mohamed Issa Alahmdi , Nader E Abo-Dya , Peter A Sidhom , Ahmed M Tawfeek , Mahmoud A A Ibrahim , Namutula Mukelabai , Opeyemi Soremekun , Mahmoud E S Soliman

Artificial Intelligence, Machine Learning, and Big Data for Ebola Virus Drug Discovery.

Pharmaceuticals (Basel, Switzerland)

Avec: Samuel K Kwofie , Joseph Adams , Emmanuel Broni , Kweku S Enninful , Clement Agoni , Mahmoud E S Soliman , Michael D Wilson

Cell-Penetrating Milk-Derived Peptides with a Non-Inflammatory Profile.

Molecules (Basel, Switzerland)

Avec: Clement Agoni , Ilias Stavropoulos , Anna Kirwan , Margharitha M Mysior , Therese Holton , Tilen Kranjc , Jeremy C Simpson , Helen M Roche , Denis C Shields

Réseau de co-auteurs

Mahmoud E S Soliman 35 collaborations

Fisayo A Olotu 22 collaborations

Abdul Rashid Issahaku 9 collaborations

Elliasu Y Salifu 8 collaborations

Mahmoud E Soliman 6 collaborations

Geraldene Munsamy 4 collaborations

Pritika Ramharack 4 collaborations

Opeyemi S Soremekun 4 collaborations

Samuel K Kwofie 4 collaborations

Opeyemi Soremekun 3 collaborations

Iwuchukwu A Emmanuel 3 collaborations

Bijo Mathew 3 collaborations

Mohamed A Abdelgawad 3 collaborations

Ahmed Khames 3 collaborations

Mahmoud A A Ibrahim 3 collaborations

Ransford Oduro Kumi 3 collaborations

Denis C Shields 3 collaborations

Ransford O Kumi 3 collaborations

Fisayo Olotu 2 collaborations

Jong Min Oh 2 collaborations

Lekshmi R Nath 2 collaborations

Hoon Kim 2 collaborations

Namutula Mukelabai 2 collaborations

Mithun Rudrapal 2 collaborations

Xylia Q Peters 2 collaborations

Mahmoud Soliman 2 collaborations

Preantha Poonan 2 collaborations

Ali H Rabbad 2 collaborations

Kweku S Enninful 2 collaborations

Michael D Wilson 2 collaborations

Yussif M Dokurugu 2 collaborations

Abdul R Issahaku 2 collaborations

Nader E Abo-Dya 2 collaborations

Kehinde F Omolabi 2 collaborations

Depika Dwarka 1 collaboration

John Jason Mellem 1 collaboration

Himansu Baijnath 1 collaboration

Farideh Badichi Akher 1 collaboration

Abdolkarim Farrokhzadeh 1 collaboration

Mohammed M Ghoneim 1 collaboration

Sunil Kumar 1 collaboration

Sachithra Thazhathuveedu Sudevan 1 collaboration

Della Grace Thomas Parambi 1 collaboration

Sahar M Aldosari 1 collaboration

Sami G Almalki 1 collaboration

Johra Khan 1 collaboration

Thembeka H Malinga 1 collaboration

Nlooto Manimbulu 1 collaboration

Emmanuel Adeniji 1 collaboration

Maryam Abdullahi 1 collaboration

Michael Afiadenyo 1 collaboration

Latif Adams 1 collaboration

Siobhan Moane 1 collaboration

Michelle Mckeon-Bennett 1 collaboration

Dorcas Obiri-Yeboah 1 collaboration

Jasdeep Singh 1 collaboration

George Hanson 1 collaboration

Henrietta Sasu 1 collaboration

Francis A Mensah 1 collaboration

Richmond T Nortey 1 collaboration

Omane P Yeboah 1 collaboration

Akwasi Boadu 1 collaboration

Rajshekhar Karpoormath 1 collaboration

Manimbulu Nlooto 1 collaboration

Nele Klatte 1 collaboration

Raúl Fernández-Díaz 1 collaboration

Rodrigo Cossio-Pérez 1 collaboration

Thanh Lam Hoang 1 collaboration

Vanessa Lopez 1 collaboration

Patrick A Kubi 1 collaboration

Khalid A Agha 1 collaboration

Eatedal H Abdel-Aal 1 collaboration

Zakaria K Abdel-Samii 1 collaboration

Tarek S Ibrahim 1 collaboration

Zaratu Sulemana 1 collaboration

Sinalo Gqunu 1 collaboration

Francis Abobo 1 collaboration

Hilda Halm 1 collaboration

Nat Obour Awuku 1 collaboration

Ransford Kumi 1 collaboration

Bright Amoore 1 collaboration

Richard Ephraim 1 collaboration

Duah Duah 1 collaboration

Emmanuel A Iwuchukwu 1 collaboration

Sphamadla E Mtambo 1 collaboration

Daniel G Amoako 1 collaboration

Anou M Somboro 1 collaboration

Monsurat M Lawal 1 collaboration

Nelisiwe S Gumede 1 collaboration

Rene B Khan 1 collaboration

Hezekiel M Kumalo 1 collaboration

Houda Washah 1 collaboration

Aimen K Aljoundi 1 collaboration

Atul R Bendale 1 collaboration

Akhil Nagar 1 collaboration

Deepak Lokwani 1 collaboration

T M Rangarajan 1 collaboration

Githa Elizabeth Mathew 1 collaboration

Gill Enslin 1 collaboration

Evans Duah 1 collaboration

Ernest Kenu 1 collaboration

Edward Morkporkpor Adela 1 collaboration

Hilda Adjoa Halm 1 collaboration

Veronica B Maphanga 1 collaboration

Krystyna Skalicka-Wozniak 1 collaboration

Barbara Budzynska 1 collaboration

Andriana Skiba 1 collaboration

Weiyang Chen 1 collaboration

Gill M Enslin 1 collaboration

Alvaro M Viljoen 1 collaboration

Samukelisiwe Minenhle Mncube 1 collaboration

Mohamed Issa Alahmdi 1 collaboration

Peter A Sidhom 1 collaboration

Ahmed M Tawfeek 1 collaboration

Joseph Adams 1 collaboration

Emmanuel Broni 1 collaboration

Ilias Stavropoulos 1 collaboration

Anna Kirwan 1 collaboration

Margharitha M Mysior 1 collaboration

Therese Holton 1 collaboration

Tilen Kranjc 1 collaboration

Jeremy C Simpson 1 collaboration

Helen M Roche 1 collaboration