thandokuhle ntombela - Catalysis

Author Information

Dr. Thandokuhle Ntombela is affiliated with the Catalysis and Peptide Research Unit within the School of Health Sciences at the University of KwaZulu-Natal, located in Durban, South Africa. Dr. Ntombela's research focuses primarily on structural biology and computational chemistry, particularly in the context of drug design and enzyme inhibition.

Research Contributions

Dr. Thandokuhle Ntombela has made significant contributions to the field of computational drug design and structural biology. His work includes detailed studies on enzyme inhibition mechanisms, particularly those involving Mycobacterium tuberculosis. Dr. Ntombela's research has explored various aspects of enzyme-inhibitor interactions using advanced computational techniques such as ONIOM and QM/MM modeling. Additionally, he has investigated the structural basis for targeting oncoproteins involved in human T-cell leukemia, highlighting the potential for small molecule therapeutics.

Aliases

There are no aliases listed for Dr. Thandokuhle Ntombela.

Publication and Citation Metrics

Metric	Value
Total Papers	16
Citation Count	210
h-index	5

Publications:

Structural basis for targeting the human T-cell leukemia virus Tax oncoprotein and syntenin-1 interaction using a small molecule

DOI:

Year: 2022

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

DOI: 10.1016/j.ejmech.2021.113705

Year: 2021

Interactome and structural basis for targeting the human T-cell leukemia virus Tax oncoprotein

DOI: 10.1101/2021.08.25.457680

Year: 2021

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

DOI: 10.1080/07391102.2021.1899052

Year: 2021

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

DOI: 10.2174/0929867326666181203150231

Year: 2018

Inhibition of Mycobacterium tuberculosis L,D-Transpeptidase 5 by Carbapenems: MD and QM/MM Mechanistic Studies

DOI: 10.1002/SLCT.201803184

Year: 2018

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

DOI: 10.1016/j.tube.2018.10.005

Year: 2018

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

DOI: 10.1007/s10822-018-0121-2

Year: 2018

What Computational Tools are Used?

What are the Common Challenges in Catalysis Installation?

What is the Role of R&D Expenses?

What are Patent Infringement and Enforcement Issues?

Why is Reverse Engineering Important in Catalysis?

How to Maintain an Audit Trail?

What are Some Recent Advances in Catalysis for GHG Reduction?

Which Materials Are Commonly Used as Standards?

What Are the Best Practices for Storage?

What Techniques are Used for Material Recovery?

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