Nothing lasts forever: understanding microbial biodegradation of polyfluorinated compounds and perfluorinated alkyl substances
LP Wackett - Microbial biotechnology, 2022 - Wiley Online Library
Poly‐and perfluorinated chemicals, including perfluorinated alkyl substances (PFAS), are
pervasive in today's society, with a negative impact on human and ecosystem health …
pervasive in today's society, with a negative impact on human and ecosystem health …
Molecular dynamics simulation in drug discovery: opportunities and challenges
R Shukla, T Tripathi - Innovations and implementations of computer aided …, 2021 - Springer
Drug discovery is the process used to discover new candidate medications. In the past, most
drugs were discovered by identification of active-ingredients or by serendipity. Modern drug …
drugs were discovered by identification of active-ingredients or by serendipity. Modern drug …
Molecular dynamics simulation of protein and protein–ligand complexes
R Shukla, T Tripathi - Computer-aided drug design, 2020 - Springer
Biomacromolecules, including proteins and their complexes, adopt multiple conformations
that are linked to their biological functions. Though some of the structural heterogeneity can …
that are linked to their biological functions. Though some of the structural heterogeneity can …
[HTML][HTML] The glutathione system: a journey from cyanobacteria to higher eukaryotes
C Cassier-Chauvat, F Marceau, S Farci, S Ouchane… - Antioxidants, 2023 - mdpi.com
From bacteria to plants and humans, the glutathione system plays a pleiotropic role in cell
defense against metabolic, oxidative and metal stresses. Glutathione (GSH), the γ-L …
defense against metabolic, oxidative and metal stresses. Glutathione (GSH), the γ-L …
In-silico anti-inflammatory potential of guaiane dimers from Xylopia vielana targeting COX-2
Natural products of herbal origin are prodigious to display diverse pharmacological
activities. In the present study, five guaiane-type sesquiterpene dimers, xylopidimers A− E (1 …
activities. In the present study, five guaiane-type sesquiterpene dimers, xylopidimers A− E (1 …
Regulation of antioxidant defense and glyoxalase systems in cyanobacteria
Oxidative stress is common consequence of abiotic stress in plants as well as cyanobacteria
caused by generation of reactive oxygen species (ROS), an inevitable product of respiration …
caused by generation of reactive oxygen species (ROS), an inevitable product of respiration …
Structure-based screening and molecular dynamics simulations offer novel natural compounds as potential inhibitors of Mycobacterium tuberculosis isocitrate lyase
Mycobacterium tuberculosis is the etiological agent of tuberculosis in humans and is
responsible for more than two million deaths annually. M. tuberculosis isocitrate lyase …
responsible for more than two million deaths annually. M. tuberculosis isocitrate lyase …
Distant Phe345 mutation compromises the stability and activity of Mycobacterium tuberculosis isocitrate lyase by modulating its structural flexibility
Isocitrate lyase (ICL), a potential anti-tubercular drug target, catalyzes the first step of the
glyoxylate shunt. In the present investigation, we studied the conformational flexibility of …
glyoxylate shunt. In the present investigation, we studied the conformational flexibility of …
Genetic, genomics, and responses to stresses in cyanobacteria: biotechnological implications
C Cassier-Chauvat, V Blanc-Garin, F Chauvat - Genes, 2021 - mdpi.com
Cyanobacteria are widely-diverse, environmentally crucial photosynthetic prokaryotes of
great interests for basic and applied science. Work to date has focused mostly on the three …
great interests for basic and applied science. Work to date has focused mostly on the three …
Identification of potential inhibitors of Fasciola gigantica thioredoxin1: computational screening, molecular dynamics simulation, and binding free energy studies
Fasciola gigantica is the causative organism of fascioliasis and is responsible for major
economic losses in livestock production globally. F. gigantica thioredoxin1 (FgTrx1) is an …
economic losses in livestock production globally. F. gigantica thioredoxin1 (FgTrx1) is an …