N. Mhlongo

发表

Computational studies of the properties and activities of selected trisubstituted benzimidazoles as potential antitubercular drugs inhibiting MTB-FtsZ polymerization

Monsurat M. Lawal, H. Kumalo, Olayinka I. Akinpelu, 2020, Journal of biomolecular structure & dynamics.

Molecular Insights Into Di(2-Picolyl) Amine–Induced Cytotoxicity and Apoptosis in Human Kidney (HEK293) Cells

H. Kumalo, A. Somboro, N. Mhlongo, 2020, International journal of toxicology.

Dynamics of the thumb-finger regions in a GH11 xylanase Bacillus circulans : comparison between the Michaelis and covalent intermediate

M. Soliman, H. G. Kruger, I. Williams, 2015 .

Metal complexes in cancer therapy – an update from drug design perspective

M. Soliman, N. Mhlongo, U. Ndagi, 2017, Drug design, development and therapy.

Dual targeting approach for Mycobacterium tuberculosis drug discovery: insights from DFT calculations and molecular dynamics simulations

M. Soliman, Monsurat M. Lawal, H. Kumalo, 2019, Structural Chemistry.

Re-emergence of an orphan therapeutic target for the treatment of resistant prostate cancer – a thorough conformational and binding analysis for ROR-γ protein

M. Soliman, N. Mhlongo, U. Ndagi, 2018, Journal of biomolecular structure & dynamics.

Emergence of a Promising Lead Compound in the Treatment of Triple Negative Breast Cancer: An Insight into Conformational Features and Ligand Binding Landscape of c-Src Protein with UM-164

M. Soliman, N. Mhlongo, U. Ndagi, 2017, Applied Biochemistry and Biotechnology.

A critical survey of average distances between catalytic carboxyl groups in glycoside hydrolases

M. Soliman, G. Kruger, I. Williams, 2014, Proteins.

Single H5N1 influenza A neuraminidase mutation develops resistance to oseltamivir due to distorted conformational and drug binding landscape: multiple molecular dynamics analyses

M. Soliman, N. Mhlongo, 2015 .

Induced Mutation Proves a Potential Target for TB Therapy: A Molecular Dynamics Study on LprG

M. Soliman, N. Mhlongo, Kgothatso E. Machaba, 2018, Cell Biochemistry and Biophysics.

Exploring the impact of H5N1 neuraminidase (H274Y) mutation on Peramivir: a bio-computational study from a molecular perspective

H. Kumalo, A. Somboro, N. Mhlongo, 2020, Journal of biomolecular structure & dynamics.

Ursolic acid as a potential inhibitor of Mycobacterium tuberculosis cytochrome bc1 oxidase—a molecular modelling perspective

H. Kumalo, N. Mhlongo, U. Ndagi, 2022, Journal of Molecular Modeling.

In silico screening of W. salutaris bioactive constituents reveal betulinic acid, ursolic acid acetate and eucosterol as potential M. tuberculosis antagonists targeting FabF

H. Kumalo, N. Mhlongo, U. Ndagi, 2021 .

Drug repurposing: Fusidic acid as a potential inhibitor of M. tuberculosis FtsZ polymerization - Insight from DFT calculations, molecular docking and molecular dynamics simulations.

Monsurat M. Lawal, H. Kumalo, Olayinka I. Akinpelu, 2020, Tuberculosis.

A pre-test post-test assessment of non-invasive keratograph break up time and corneal epithelial thickness after vaping

N. Mhlongo, A. Munsamy, Ronelle Naidoo, 2019, African health sciences.

Understanding the Hsp90 N-Terminal Dynamics: Structural and Molecular Insights into the Therapeutic Activities of Anticancer Inhibitors Radicicol (RD) and Radicicol Derivative (NVP-YUA922)

Monsurat M. Lawal, H. Kumalo, A. Somboro, 2020, Molecules.

Exploring the inhibitory mechanism of resorcinylic isoxazole amine NVP-AUY922 towards the discovery of potential heat shock protein 90 (Hsp90) inhibitors

Monsurat M. Lawal, H. Kumalo, Clement Agoni, 2022, Scientific African.

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

Monsurat M. Lawal, H. Kumalo, Ahmed A. Elrashedy, 2021, International journal of molecular sciences.

Sliding Clamp of DNA Polymerase III as a Drug Target for TB Therapy: Comprehensive Conformational and Binding Analysis from Molecular Dynamic Simulations

M. Soliman, N. Mhlongo, Kgothatso E. Machaba, 2016, Cell Biochemistry and Biophysics.

Comparative Design, In Silico Dockingand Predictive ADME/ TOX Properties of Some Novel 2, 4-hydroxy Derivatives of Thiazolidine-2, 4-diones as PPARγ Modulator

M. Soliman, Saraswathy Gr, S. Yasmin, 2017 .

Tailored-pharmacophore model to enhance virtual screening and drug discovery: a case study on the identification of potential inhibitors against drug-resistant Mycobacterium tuberculosis (3R)-hydroxyacyl-ACP dehydratases.

M. Soliman, N. Mhlongo, Ndumiso N Mhlongo, 2017, Future medicinal chemistry.

The impact of Thr91 mutation on c-Src resistance to UM-164: molecular dynamics study revealed a new opportunity for drug design.

M. Soliman, N. Mhlongo, Umar Ndagi, 2017, Molecular bioSystems.

In Silico Drug Repurposing Approach: Investigation of Mycobacterium tuberculosis FadD32 Targeted by FDA-Approved Drugs

N. Mhlongo, Kgothatso E. Machaba, Nolwazi Thobeka Portia Ngidi, 2022, Molecules.

Drug repurposing approach against Mycobacterium tuberculosis Enoyl-[acyl-carrier-protein] reductase: insight from molecular dynamics simulations

H. Kumalo, N. Mhlongo, U. Ndagi, 2021, Molecular Simulation.

A consequence of drug targeting of aminoacyl‐tRNA synthetases in Mycobacteriumtuberculosis

H. Kumalo, N. Mhlongo, U. Ndagi, 2021, Chemical biology & drug design.

Characterization of an Atypical Trypanosoma brucei Hsp70 Demonstrates Its Cytosolic-Nuclear Localization and Modulation by Quercetin and Methylene Blue

A. Boshoff, N. Mhlongo, A. Shonhai, 2021, International journal of molecular sciences.

Pharmacophore mapping of the crucial mediators of dual inhibitor activity of PanK and PyrG in tuberculosis disease

Monsurat M. Lawal, H. Kumalo, Ahmed A. Elrashedy, 2021, Molecular Simulation.

Identifying the analogues of berberine as promising antitubercular drugs targeting Mtb‐FtsZ polymerisation through ligand‐based virtual screening and molecular dynamics simulations

Sizwe I. Mhlongo, H. Kumalo, Olayinka I. Akinpelu, 2021, Journal of molecular recognition : JMR.

Molecular Dynamic Investigation of H5N1 Influenza Virus Dual H274Y-I222K Mutation Resistance to Peramivir

H. Kumalo, A. Somboro, N. Mhlongo, 2022, bioRxiv.

Review on the Biological Mechanisms Associated with Depo-Provera and HIV-1 Risk Acquisition in Women

M. Soliman, Suri. Moonsamy, N. Mhlongo, 2018, Cell Biochemistry and Biophysics.

Probing the dual inhibitory mechanisms of novel thiophenecarboxamide derivatives against Mycobacterium tuberculosis PyrG and PanK: an insight from biomolecular modeling study

Monsurat M. Lawal, H. Kumalo, Ahmed A. Elrashedy, 2020, Journal of biomolecular structure & dynamics.

Impact of Drug Repurposing on SARS-Cov-2 Main Protease

Monsurat M. Lawal, N. Mhlongo, H. Makun, 2022, Russian Journal of Physical Chemistry A.