Hezekiel M. Kumalo

PROFILE

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Aliases
Hezekiel Kumalo, Hezekiel M Kumalo, Hezekiel Mathambo Kumalo
Publication record
80 papers · 1,196 citations · H-index 19

PAPERS

Carica papaya leaf and root extracts attenuate hyperglycemia-induced insulin resistance by modulating MAPK and PI3K/AKT signalling in hepatic and skeletal muscle cells.
20260 citationsauthor #5
Evaluation of the Potency of Repurposed Antiretrovirals in HBV Therapy: A Narrative Investigation of the Traditional Medicine Alternatives
20252 citationsauthor #4
The Public Health Impact of Foreign Aid Withdrawal by the United States Government and Its Implications for ARVs, Preexposure, and Postexposure Prophylaxis Medications in South Africa and Nigeria
20251 citationsauthor #4
Carica papaya leaf and root extracts present a promising therapeutic alternative for managing type 2 diabetes mellitus by reducing oxidative stress-related inflammation associated with insulin resistance in cultured HepG2 liver and C2C12 muscle cells
20250 citationsauthor #4
Computational Approaches for PPARγ Inhibitor Development: Recent Advances and Perspectives.
20251 citationsauthor #2
A Flavonoid‐Based Approach to Mitigating Hyperglycaemia: In Silico Analysis of AMPK Activation, Membrane and Metabolic Effects of Rutin in HepG2 Cells
20250 citationsauthor #5
Potential Benefits of In Silico Methods: A Promising Alternative in Natural Compound’s Drug Discovery and Repurposing for HBV Therapy
20258 citationsauthor #3
Mitigating Hyperglycaemic Oxidative Stress in HepG2 Cells: The Role of Carica papaya Leaf and Root Extracts in Promoting Glucose Uptake and Antioxidant Defence
20245 citationsauthor #3
Mechanisms of H2pmen-Induced cell death: Necroptosis and apoptosis in MDA cells, necrosis in MCF7 cells
20241 citationsauthor #4
Mechanistic Insights into Targeting SARS-CoV-2 Papain-like Protease in the Evolution and Management of COVID-19
20246 citationsauthor #6
Mechanistic Insights into the Mutational Landscape of the Main Protease/3CLPro and Its Impact on Long-Term COVID-19/SARS-CoV-2 Management
20243 citationsauthor #15
Unravelling Insights into the Evolution and Management of SARS-CoV-2
20242 citationsauthor #5
Unveiling the Inhibitory Potentials of Peptidomimetic Azanitriles and Pyridyl Esters towards SARS-CoV-2 Main Protease: A Molecular Modelling Investigation
202310 citationsauthor #12
Computational studies of potential antiviral compounds from some selected Nigerian medicinal plants against SARS-CoV-2 proteins
20237 citationsauthor #10
An updated research focus on the employment of computer-aided drug discovery and repurposing techniques for the identification and evaluation of SARS-CoV-2 Main protease inhibitors: A protocol for a systematic review and meta-analysis
20231 citationsauthor #8
Systematic Review and Meta-Analysis Protocol of the Efficacy and Safety of COVID-19 Drug Candidates Targeting Host Enzymes Involved in Immune Response
20230 citationsauthor #7
A Comprehensive Analysis of Structural and Functional Changes Induced by SARS-CoV-2 Spike Protein Mutations
20238 citationsauthor #5
Epigenetic Induction of Secondary Metabolites Production in Endophytic Fungi Penicillium chrysogenum and GC-MS Analysis of Crude Metabolites with Anti-HIV-1 Activity
202318 citationsauthor #2
Assessing the Potential Contribution of In Silico Studies in Discovering Drug Candidates That Interact with Various SARS-CoV-2 Receptors
202320 citationsauthor #5
Molecular Dynamic Investigation of H5N1 Influenza Virus Dual H274Y-I222K Mutation Resistance to Peramivir
20221 citationsauthor #8
Structural based investigation of novel pyrazole-thiazole Hybrids as dual CDK-1 and CDK-2 inhibitors for cancer chemotherapy
202217 citationsauthor #8
Allostery Inhibition of BACE1 by Psychotic and Meroterpenoid Drugs in Alzheimer’s Disease Therapy
202211 citationsauthor #6
In Silico Drug Repurposing of FDA-Approved Drugs Highlighting Promacta as a Potential Inhibitor of H7N9 Influenza Virus
20228 citationsauthor #2
Heat Shock Protein 90 (HSP90) Inhibitors as Anticancer Medicines: A Review on the Computer-Aided Drug Discovery Approaches over the Past Five Years
202219 citationsauthor #6
Secondary metabolites produced by endophytic fungi, Alternaria alternata, as potential inhibitors of the human immunodeficiency virus
202212 citationsauthor #2
Ursolic acid as a potential inhibitor of Mycobacterium tuberculosis cytochrome bc1 oxidase—a molecular modelling perspective
20227 citationsauthor #4
A molecular dynamics perspective into estrogen receptor inhibition by selective flavonoids as alternative therapeutic options
202227 citationsauthor #4
Impact of the R292K Mutation on Influenza A (H7N9) Virus Resistance towards Peramivir: A Molecular Dynamics Perspective
20224 citationsauthor #3
A molecular dynamic investigation of Human Rhinovirus 3C Protease Drug Target: Insights towards the design of potential Inhibitors
20220 citationsauthor #5
Exploring the inhibitory mechanism of resorcinylic isoxazole amine NVP-AUY922 towards the discovery of potential heat shock protein 90 (Hsp90) inhibitors
20225 citationsauthor #8
Structural Investigations and Binding Mechanisms of Oseltamivir Drug Resistance Conferred by the E119V Mutation in Influenza H7N9 Virus
20228 citationsauthor #7
“Mango in all her majesty”—the potential of mangiferin and its analogues in the inhibition of Eimeria tenella hexokinase—a computational approach
20220 citationsauthor #4
Pharmacophore mapping of the crucial mediators of acetylcholinesterase and butyrylcholinesterase dual inhibition in Alzheimer's disease
20227 citationsauthor #6
Intermolecular Mechanism and Dynamic Investigation of Avian Influenza H7N9 Virus’ Susceptibility to E119V-Substituted Peramivir–Neuraminidase Complex
20224 citationsauthor #6
Apoptosis-inducing effects of Terminalia phanerophlebia leaf extracts on human renal cells
20214 citationsauthor #5
Tailored Modeling of Rivastigmine Derivatives as Dual Acetylcholinesterase and Butyrylcholinesterase Inhibitors for Alzheimer's Disease Treatment
20219 citationsauthor #5
Probing Protein-Protein Interactions and Druggable Site Identification: Mechanistic Binding Events between Ubiquitin and Zinc Finger with UFM1-Specific Peptidase Domain Protein (ZUFSP).
20210 citationsauthor #5
A consequence of drug targeting of aminoacyl‐tRNA synthetases in Mycobacteriumtuberculosis
20216 citationsauthor #2
Design of New Schiff-Base Copper(II) Complexes: Synthesis, Crystal Structures, DFT Study, and Binding Potency toward Cytochrome P450 3A4
2021141 citationsauthor #4
Drug repurposing approach against Mycobacterium tuberculosis Enoyl-[acyl-carrier-protein] reductase: insight from molecular dynamics simulations
20212 citationsauthor #2
Drug Discovery for Mycobacterium tuberculosis Using Structure-Based Computer-Aided Drug Design Approach
202171 citationsauthor #7
Influenza Viruses: Harnessing the Crucial Role of the M2 Ion-Channel and Neuraminidase toward Inhibitor Design
202131 citationsauthor #8
Identifying the analogues of berberine as promising antitubercular drugs targeting Mtb‐FtsZ polymerisation through ligand‐based virtual screening and molecular dynamics simulations
20217 citationsauthor #2
Unravelling the molecular basis of AM-6494 high potency at BACE1 in Alzheimer’s disease: an integrated dynamic interaction investigation
202110 citationsauthor #5
Functional Analysis of Single Nucleotide Polymorphism in ZUFSP Protein and Implication in Pathogenesis
20211 citationsauthor #4
Alzheimer's Disease and β-Secretase Inhibition: An Update With a Focus on Computer-Aided Inhibitor Design.
202112 citationsauthor #3
Pharmacophore mapping of the crucial mediators of dual inhibitor activity of PanK and PyrG in tuberculosis disease
20213 citationsauthor #5
An Overview of β-Amyloid Cleaving Enzyme 1 (Bace1) in Alzheimer's Disease Therapy Elucidating its Exosite-Binding Antibody and Allosteric Inhibitor.
20218 citationsauthor #3
In silico screening of W. salutaris bioactive constituents reveal betulinic acid, ursolic acid acetate and eucosterol as potential M. tuberculosis antagonists targeting FabF
20210 citationsauthor #4
Density functional theory study of gold(III)-dithiocarbamate complexes with characteristic anticancer potentials.
202019 citationsauthor #6
Computational modelling of potent β-secretase (BACE1) inhibitors towards Alzheimer's disease treatment.
202018 citationsauthor #5
Prevalence and Antimicrobial Resistance of Escherichia coli Isolated from Various Meat Types in the Tamale Metropolis of Ghana
202029 citationsauthor #5
Understanding the Hsp90 N-Terminal Dynamics: Structural and Molecular Insights into the Therapeutic Activities of Anticancer Inhibitors Radicicol (RD) and Radicicol Derivative (NVP-YUA922)
202014 citationsauthor #9
Molecular Insights Into Di(2-Picolyl) Amine–Induced Cytotoxicity and Apoptosis in Human Kidney (HEK293) Cells
20203 citationsauthor #5
Exploring the impact of H5N1 neuraminidase (H274Y) mutation on Peramivir: a bio-computational study from a molecular perspective
20206 citationsauthor #8
Leveraging on Active Site Similarities; Identification of Potential Inhibitors of Zinc-Finger and UFSP domain Protein (ZUFSP).
20200 citationsauthor #4
Genomic Investigation into the Virulome, Pathogenicity, Stress Response Factors, Clonal Lineages, and Phylogenetic Relationship of Escherichia coli Strains Isolated from Meat Sources in Ghana
20209 citationsauthor #3
Probing the dual inhibitory mechanisms of novel thiophenecarboxamide derivatives against Mycobacterium tuberculosis PyrG and PanK: an insight from biomolecular modeling study
20206 citationsauthor #4
Multi-target approach for Alzheimer’s disease treatment: computational biomolecular modeling of cholinesterase enzymes with a novel 4-N-phenylaminoquinoline derivative reveal promising potentials
20207 citationsauthor #5
Understanding the Binding Mechanism of Antagonist (AZD3293) Against BACE-1: Molecular Insights into Alzheimer’s Drug Discovery
20200 citationsauthor #6
Computational studies of the properties and activities of selected trisubstituted benzimidazoles as potential antitubercular drugs inhibiting MTB-FtsZ polymerization
20209 citationsauthor #3
In silico Design and Synthesis of Tetrahydropyrimidinones and Tetrahydropyrimidinethiones as Potential Thymidylate Kinase Inhibitors Exerting Anti-TB Activity Against Mycobacterium tuberculosis
202034 citationsauthor #14
Design and Development of Cholinesterase Dual Inhibitors towards Alzheimer's Disease Treatment: A Focus on Recent Contributions from Computational and Theoretical Perspective
20205 citationsauthor #3
Drug repurposing: Fusidic acid as a potential inhibitor of M. tuberculosis FtsZ polymerization - Insight from DFT calculations, molecular docking and molecular dynamics simulations.
202033 citationsauthor #3
Dual targeting approach for Mycobacterium tuberculosis drug discovery: insights from DFT calculations and molecular dynamics simulations
201921 citationsauthor #6
Impact of Pyridyl Moieties on the Inhibitory Properties of Prominent Acyclic Metal Chelators Against Metallo-β-Lactamase-Producing Enterobacteriaceae: Investigating the Molecular Basis of Acyclic Metal Chelators' Activity
201914 citationsauthor #8
Susceptibility of Anopheles Mosquito to Agricultural Insecticides in the Adansi North District, Ghana
20192 citationsauthor #5
Synthesis, antibacterial activity and docking studies of substituted quinolone thiosemicarbazones
201928 citationsauthor #3
1,4,7-Triazacyclononane Restores the Activity of β-Lactam Antibiotics against Metallo-β-Lactamase-Producing Enterobacteriaceae: Exploration of Potential Metallo-β-Lactamase Inhibitors
20185 citationsauthor #4
TACN (1, 4, 7-Triazacyclononane) restores the activity of β-lactam antibiotics against Metallo-β-Lactamase producing Enterobacteriaceae: The exploration of potential Metallo-β-Lactamase inhibitors
201811 citationsauthor #4
In Vitro Potentiation of Carbapenems with Tannic Acid Against Carbapenemase Producing Enterobacteriaceae: Exploring Natural Products as Potential Carbapenemase Inhibitors
201812 citationsauthor #4
In Vitro Antibacterial Activity of Teixobactin Derivatives on Clinically Relevant Bacterial Isolates
201831 citationsauthor #6
Conjugates and nano-delivery of antimicrobial peptides for enhancing therapeutic activity
201845 citationsauthor #3
One-pot microwave assisted synthesis and structural elucidation of novel ethyl 3-substituted-7-methylindolizine-1-carboxylates with larvicidal activity against Anopheles arabiensis
201844 citationsauthor #6
Investigation of flap flexibility of β-secretase using molecular dynamic simulations
201634 citationsauthor #1
Mechanism of Inhibition of Hsp90 Dimerization by Gyrase B Inhibitor Coumermycin A1 (C–A1) Revealed by Molecular Dynamics Simulations and Thermodynamic Calculations
20165 citationsauthor #2
A comparative molecular dynamics study on BACE1 and BACE2 flap flexibility
201626 citationsauthor #1
Per-Residue Energy Footprints-Based Pharmacophore Modeling as an Enhanced In Silico Approach in Drug Discovery: A Case Study on the Identification of Novel β-Secretase1 (BACE1) Inhibitors as Anti-Alzheimer Agents
201542 citationsauthor #1
Theory and Applications of Covalent Docking in Drug Discovery: Merits and Pitfalls
2015143 citationsauthor #1
Heat‐Shock Protein 90 (Hsp90) as Anticancer Target for Drug Discovery: An Ample Computational Perspective
201517 citationsauthor #1

TIMELINE

2015 202 citations

2016 65 citations

2018 148 citations

2019 65 citations

2020 192 citations

2021 305 citations

2022 130 citations

2023 64 citations

2024 17 citations

2025 12 citations

2026 0 citations

Hezekiel M. Kumalo

PROFILE

PAPERS

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