In Silico Drug Repurposing of FDA-Approved Drugs Highlighting Promacta as a Potential Inhibitor of H7N9 Influenza Virus

por Mtambo, Sphamandla E., Kumalo, Hezekiel M.
Publicado 2022

Theory and Applications of Covalent Docking in Drug Discovery: Merits and Pitfalls

por Kumalo, Hezekiel Mathambo, Bhakat, Soumendranath, Soliman, Mahmoud E. S.
Publicado 2015

Mechanism of Inhibition of Hsp90 Dimerization by Gyrase B Inhibitor Coumermycin A1 (C–A1) Revealed by Molecular Dynamics Simulations and Thermodynamic Calculations

por Cele, Favourite N., Kumalo, Hezekiel, Soliman, Mahmoud E. S.
Publicado 2016

Impact of the R292K Mutation on Influenza A (H7N9) Virus Resistance towards Peramivir: A Molecular Dynamics Perspective

por Mtambo, Sphamandla E., Ugbaja, Samuel C., Kumalo, Hezekiel M.
Publicado 2022

Secondary metabolites produced by endophytic fungi, Alternaria alternata, as potential inhibitors of the human immunodeficiency virus

por Nzimande, Bruce, Kumalo, Hezekiel M., Ndlovu, Sizwe I., Mkhwanazi, Nompumelelo P.
Publicado 2022

Epigenetic Induction of Secondary Metabolites Production in Endophytic Fungi Penicillium chrysogenum and GC-MS Analysis of Crude Metabolites with Anti-HIV-1 Activity

por Makhwitine, John P., Kumalo, Hezekiel M., Ndlovu, Sizwe I., Mkhwanazi, Nompumelelo P.
Publicado 2023

Assessing the Potential Contribution of In Silico Studies in Discovering Drug Candidates That Interact with Various SARS-CoV-2 Receptors

por Mushebenge, Aganze Gloire-Aimé, Ugbaja, Samuel Chima, Mbatha, Nonkululeko Avril, B. Khan, Rene, Kumalo, Hezekiel M.
Publicado 2023

Genomic Investigation into the Virulome, Pathogenicity, Stress Response Factors, Clonal Lineages, and Phylogenetic Relationship of Escherichia coli Strains Isolated from Meat Sourc...

por Adzitey, Frederick, Asante, Jonathan, Kumalo, Hezekiel M., Khan, Rene B., Somboro, Anou M., Amoako, Daniel G.
Publicado 2020

Prevalence and Antimicrobial Resistance of Escherichia coli Isolated from Various Meat Types in the Tamale Metropolis of Ghana

por Adzitey, Frederick, Assoah-Peprah, Prince, Teye, Gabriel A., Somboro, Anou M., Kumalo, Hezekiel M., Amoako, Daniel G.
Publicado 2020

Intermolecular Mechanism and Dynamic Investigation of Avian Influenza H7N9 Virus’ Susceptibility to E119V-Substituted Peramivir–Neuraminidase Complex

por Mtambo, Sphamandla E., Ugbaja, Samuel C., Mushebenge, Aganze G., Abubakar, Bahijjahtu H., Ntuli, Mthobisi L., Kumalo, Hezekiel M.
Publicado 2022

Heat Shock Protein 90 (HSP90) Inhibitors as Anticancer Medicines: A Review on the Computer-Aided Drug Discovery Approaches over the Past Five Years

por Magwenyane, Ayanda M., Ugbaja, Samuel C., Amoako, Daniel G., Somboro, Anou M., Khan, Rene B., Kumalo, Hezekiel M.
Publicado 2022

Allostery Inhibition of BACE1 by Psychotic and Meroterpenoid Drugs in Alzheimer’s Disease Therapy

por Ugbaja, Samuel C., Lawal, Isiaka A., Abubakar, Bahijjahtu H., Mushebenge, Aganze G., Lawal, Monsurat M., Kumalo, Hezekiel M.
Publicado 2022

Design of New Schiff-Base Copper(II) Complexes: Synthesis, Crystal Structures, DFT Study, and Binding Potency toward Cytochrome P450 3A4

por Yusuf, Tunde L., Oladipo, Segun D., Zamisa, Sizwe, Kumalo, Hezekiel M., Lawal, Isiaka A., Lawal, Monsurat M., Mabuba, Nonhlangabezo
Publicado 2021

Drug Discovery for Mycobacterium tuberculosis Using Structure-Based Computer-Aided Drug Design Approach

por Ejalonibu, Murtala A., Ogundare, Segun A., Elrashedy, Ahmed A., Ejalonibu, Morufat A., Lawal, Monsurat M., Mhlongo, Ndumiso N., Kumalo, Hezekiel M.
Publicado 2021

Structural Investigations and Binding Mechanisms of Oseltamivir Drug Resistance Conferred by the E119V Mutation in Influenza H7N9 Virus

por Ugbaja, Samuel C., Mtambo, Sphamandla E., Mushebenge, Aganze G., Appiah-Kubi, Patrick, Abubakar, Bahijjahtu H., Ntuli, Mthobisi L., Kumalo, Hezekiel M.
Publicado 2022

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

por Mtambo, Sphamadla E., Amoako, Daniel G., Somboro, Anou M., Agoni, Clement, Lawal, Monsurat M., Gumede, Nelisiwe S., Khan, Rene B., Kumalo, Hezekiel M.
Publicado 2021

Understanding the Hsp90 N-Terminal Dynamics: Structural and Molecular Insights into the Therapeutic Activities of Anticancer Inhibitors Radicicol (RD) and Radicicol Derivative (NVP...

por Magwenyane, Ayanda M., Mhlongo, Ndumiso N., Lawal, Monsurat M., Amoako, Daniel G., Somboro, Anou M., Sosibo, Sphelele C., Shunmugam, Letitia, Khan, Rene B., Kumalo, Hezekiel M.
Publicado 2020

In Vitro Antibacterial Activity of Teixobactin Derivatives on Clinically Relevant Bacterial Isolates

por Ramchuran, Estelle J., Somboro, Anou M., Abdel Monaim, Shimaa A. H., Amoako, Daniel G., Parboosing, Raveen, Kumalo, Hezekiel M., Agrawal, Nikhil, Albericio, Fernando, Torre, Beatriz G. de La, Bester, Linda A.
Publicado 2018

Unveiling the Inhibitory Potentials of Peptidomimetic Azanitriles and Pyridyl Esters towards SARS-CoV-2 Main Protease: A Molecular Modelling Investigation

por Mushebenge, Aganze G., Ugbaja, Samuel C., Mtambo, Sphamandla E., Ntombela, Thandokuhle, Metu, Joy I., Babayemi, Oludotun, Chima, Joy I., Appiah-Kubi, Patrick, Odugbemi, Adeshina I., Ntuli, Mthobisi L., Khan, Rene, Kumalo, Hezekiel M.
Publicado 2023

Computational studies of potential antiviral compounds from some selected Nigerian medicinal plants against SARS-CoV-2 proteins

por Ibeh, Raymond C., Ikechukwu, Gavin C., Ukweni, Chinonyerem J., Omekara, Israel C., Ezirim, Amanda U., Ujowundu, Favour N., Eziefuna, Ebere O., Iheme, Callistus I., Oyedemi, Sunday O., Kumalo, Hezekiel M., Ndagi, Umar, Lawal, Monsurat M.
Publicado 2023