Exploring the bioactivity of pentacyclic triterpenoids as potential antimycobacterial nutraceutics: Insights through comparative biomolecular modelling

Author:

Tolufashe Gideon F.,Lawal Monsurat M.ORCID,Govender Krishna K.,Shode Francis O.ORCID,Singh ThishanaORCID

Funder

University of KwaZulu-Natal

National Research Foundation

Publisher

Elsevier BV

Subject

Materials Chemistry,Computer Graphics and Computer-Aided Design,Physical and Theoretical Chemistry,Spectroscopy

Reference77 articles.

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3. Inhibition mechanism of L, D-transpeptidase 5 in presence of the β-lactams using ONIOM method;Tolufashe;J. Mol. Graph. Model.,2019

4. Inhibition of Mycobacterium tuberculosis L, D-transpeptidase 5 by carbapenems: MD and QM/MM mechanistic studies;Tolufashe;Chemistry,2018

5. Antimycobacterial, docking and molecular dynamic studies of pentacyclic triterpenes from Buddleja saligna leaves;Singh;J. Biomol. Struct. Dyn.,2017

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