Strategies to combat multi-drug resistance in tuberculosis

V Singh, K Chibale - Accounts of chemical research, 2021 - ACS Publications
Conspectus “Drug resistance is an unavoidable consequence of the use of drugs; however,
the emergence of multi-drug resistance can be managed by accurate diagnosis and tailor …

Drug resistance, fitness and compensatory mutations in Mycobacterium tuberculosis

AKA Emane, X Guo, HE Takiff, S Liu - Tuberculosis, 2021 - Elsevier
For tuberculosis to be eradicated, the transmission of Multi-Drug-Resistant and eXtensively
Drug Resistant strains of Mycobacterium tuberculosis (MDR and XDR-TB) must be …

DynaMut2: Assessing changes in stability and flexibility upon single and multiple point missense mutations

CHM Rodrigues, DEV Pires, DB Ascher - Protein Science, 2021 - Wiley Online Library
Predicting the effect of missense variations on protein stability and dynamics is important for
understanding their role in diseases, and the link between protein structure and function …

mCSM-PPI2: predicting the effects of mutations on protein–protein interactions

CHM Rodrigues, Y Myung, DEV Pires… - Nucleic acids …, 2019 - academic.oup.com
Protein–protein Interactions are involved in most fundamental biological processes, with
disease causing mutations enriched at their interfaces. Here we present mCSM-PPI2, a …

ThermoMutDB: a thermodynamic database for missense mutations

JS Xavier, TB Nguyen, M Karmarkar… - Nucleic acids …, 2021 - academic.oup.com
Proteins are intricate, dynamic structures, and small changes in their amino acid sequences
can lead to large effects on their folding, stability and dynamics. To facilitate the further …

mmCSM-PPI: predicting the effects of multiple point mutations on protein–protein interactions

CHM Rodrigues, DEV Pires… - Nucleic acids research, 2021 - academic.oup.com
Protein–protein interactions play a crucial role in all cellular functions and biological
processes and mutations leading to their disruption are enriched in many diseases. While a …

mCSM-membrane: predicting the effects of mutations on transmembrane proteins

DEV Pires, CHM Rodrigues… - Nucleic Acids Research, 2020 - academic.oup.com
Significant efforts have been invested into understanding and predicting the molecular
consequences of mutations in protein coding regions, however nearly all approaches have …

Exploring the structural distribution of genetic variation in SARS-CoV-2 with the COVID-3D online resource

S Portelli, M Olshansky, CHM Rodrigues, EN D'Souza… - Nature …, 2020 - nature.com
The emergence of the COVID-19 pandemic has spurred a global rush to uncover basic
biological mechanisms to inform effective vaccine and drug development. Despite the …

Systematic evaluation of computational tools to predict the effects of mutations on protein stability in the absence of experimental structures

Q Pan, TB Nguyen, DB Ascher… - Briefings in …, 2022 - academic.oup.com
Abstract Changes in protein sequence can have dramatic effects on how proteins fold, their
stability and dynamics. Over the last 20 years, pioneering methods have been developed to …

Structure guided prediction of Pyrazinamide resistance mutations in pncA

M Karmakar, CHM Rodrigues, K Horan, JT Denholm… - Scientific reports, 2020 - nature.com
Pyrazinamide plays an important role in tuberculosis treatment; however, its use is
complicated by side-effects and challenges with reliable drug susceptibility testing …