User profiles for Thandokuhle Ntombela

Thandokuhle Ntombela

University of KwaZulu-Natal
Verified email at stu.ukzn.ac.za
Cited by 395

Current trends in computer aided drug design and a highlight of drugs discovered via computational techniques: A review

VT Sabe, T Ntombela, LA Jhamba… - European Journal of …, 2021 - Elsevier
Computer-aided drug design (CADD) is one of the pivotal approaches to contemporary pre-clinical
drug discovery, and various computational techniques and software programs are …

Structure and function of L, D-and D, D-transpeptidase family enzymes from Mycobacterium tuberculosis

…, VT Sabe, CU Ibeji, T Ntombela… - Current medicinal …, 2020 - ingentaconnect.com
Peptidoglycan, the exoskeleton of bacterial cell and an essential barrier that protects the cell,
is synthesized by a pathway where the final steps are catalysed by transpeptidases. …

[HTML][HTML] Structure-Activity Relationship of Antimicrobial Peptoids

PL Nyembe, T Ntombela, MM Makatini - Pharmaceutics, 2023 - mdpi.com
Thandokuhle Ntombela … I would also like to thank Thandokuhle Ntombela for assisting in
revising this … Nyembe PL, Ntombela T, Makatini MM. Review: Structure-Activity Relationship of …

Molecular insight on the non-covalent interactions between carbapenems and l,d-transpeptidase 2 from Mycobacterium tuberculosis: ONIOM study

T Ntombela, Z Fakhar, CU Ibeji, T Govender… - Journal of computer …, 2018 - Springer
Tuberculosis remains a dreadful disease that has claimed many human lives worldwide
and elimination of the causative agent Mycobacterium tuberculosis also remains elusive. …

Mechanistic insight on the inhibition of D, D-carboxypeptidase from Mycobacterium tuberculosis by β-lactam antibiotics: an ONIOM acylation study

T Ntombela, A Seupersad, S Maseko… - Journal of …, 2022 - Taylor & Francis
Mycobacterium tuberculosis cell wall is intricate and impermeable to many agents. AD, D-carboxypeptidase
(DacB1) is one of the enzymes involved in the biosynthesis of cell wall …

[HTML][HTML] Neutralizing Carbapenem Resistance by Co-Administering Meropenem with Novel β-Lactam-Metallo-β-Lactamase Inhibitors

…, KK Rajbongshi, S Baijnath, S Mdanda, T Ntombela… - Antibiotics, 2023 - mdpi.com
Virulent Enterobacterale strains expressing serine and metallo-β-lactamases (MBL) genes
have emerged responsible for conferring resistance to hard-to-treat infectious diseases. One …

In Vitro and In Vivo Development of a β-Lactam-Metallo-β-Lactamase Inhibitor: Targeting Carbapenem-Resistant Enterobacterales

…, S Mdanda, L Chetty, T Ntombela… - ACS Infectious …, 2023 - ACS Publications
β-lactams are the most prescribed class of antibiotics due to their potent, broad-spectrum
antimicrobial activities. However, alarming rates of antimicrobial resistance now threaten the …

Cationic Chitosan Derivatives for the Inactivation of HIV-1 and SARS-CoV-2 Enveloped Viruses

…, K Setshedi, K Malatji, NP Mkhwanazi, T Ntombela… - ACS …, 2023 - ACS Publications
Cationic chitosan derivatives have been widely studied as potential antimicrobial agents.
However, very little is known about their antiviral activity and mode of action against enveloped …

Identification of small molecule antivirals against HTLV-1 by targeting the hDLG1-Tax-1 protein-protein interaction

…, C Gorgulla, E Plant, J Olivet, J Blavier, T Ntombela… - Antiviral research, 2023 - Elsevier
Human T-cell leukemia virus type-1 (HTLV-1) is the first pathogenic retrovirus discovered in
human. Although HTLV-1-induced diseases are well-characterized and linked to the …

The catalytic role of water in the binding site of l, d-transpeptidase 2 within acylation mechanism: a QM/MM (ONIOM) modelling

CU Ibeji, GF Tolufashe, T Ntombela, T Govender… - Tuberculosis, 2018 - Elsevier
Mycobacterium tuberculosis is the causative agent of Tuberculosis. Formation of 3 → 3 crosslinks
in the peptidoglycan layer of M. tuberculosis is catalyzed by l,d-transpeptidases. These …