[HTML][HTML] Limitations and challenges in protein stability prediction upon genome variations: towards future applications in precision medicine

T Sanavia, G Birolo, L Montanucci, P Turina… - Computational and …, 2020 - Elsevier
Protein stability predictions are becoming essential in medicine to develop novel
immunotherapeutic agents and for drug discovery. Despite the large number of …

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 …

Drug-resistance in Mycobacterium tuberculosis: where we stand

A Mabhula, V Singh - Medchemcomm, 2019 - pubs.rsc.org
Tuberculosis (TB), an infectious disease caused by the bacterium Mycobacterium
tuberculosis (Mtb), has burdened vulnerable populations in modern day societies for …

Prediction of impacts of mutations on protein structure and interactions: SDM, a statistical approach, and mCSM, using machine learning

AP Pandurangan, TL Blundell - Protein Science, 2020 - Wiley Online Library
Next‐generation sequencing methods have not only allowed an understanding of genome
sequence variation during the evolution of organisms but have also provided invaluable …

An appraisal of anti-mycobacterial activity with structure-activity relationship of piperazine and its analogues: A review

PS Girase, S Dhawan, V Kumar, SR Shinde… - European Journal of …, 2021 - Elsevier
Piperazine, is privileged six membered nitrogen containing heterocyclic ring also known as
1, 4-Diazacyclohexane. Consequently, piperazine is a versatile medicinally important …

Recent advancements and developments in search of anti-tuberculosis agents: a quinquennial update and future directions

TM Dhameliya, KA Bhakhar, ND Gajjar, KA Patel… - Journal of Molecular …, 2022 - Elsevier
Tuberculosis (TB) has been considered as the highly chronic, contagious and infectious
disorder caused by Mycobacterium tuberculosis (Mtb). Every year more than 10 million …

Current advances in the clinical development of anti-tubercular agents

SR Tetali, E Kunapaeddi, RP Mailavaram, V Singh… - Tuberculosis, 2020 - Elsevier
Tuberculosis (TB) is a communicable airborne infectious disease caused by the
Mycobacterium tuberculosis (MTB) that primarily affects the lungs, and can disseminate to …

Tuberculosis: an update on pathophysiology, molecular mechanisms of drug resistance, newer anti-TB drugs, treatment regimens and host-directed therapies

P Borah, PK Deb, KN Venugopala… - Current Topics in …, 2021 - ingentaconnect.com
Human tuberculosis (TB) is primarily caused by Mycobacterium tuberculosis (Mtb) that
inhabits inside and amidst immune cells of the host with adapted physiology to regulate …

[HTML][HTML] Combining structure and genomics to understand antimicrobial resistance

T Tunstall, S Portelli, J Phelan, TG Clark… - Computational and …, 2020 - Elsevier
Antimicrobials against bacterial, viral and parasitic pathogens have transformed human and
animal health. Nevertheless, their widespread use (and misuse) has led to the emergence of …

An insight into the biological activity and structure-based drug design attributes of sulfonylpiperazine derivatives

JT Kilbile, Y Tamboli, SS Gadekar, I Islam… - Journal of Molecular …, 2023 - Elsevier
The development of new, effective drugs containing nitrogen and sulfur heteroatoms is of
paramount importance in medicinal chemistry. A versatile and rational approach for drug …