LD‐transpeptidases: the great unknown among the peptidoglycan cross‐linkers
A Aliashkevich, F Cava - The FEBS journal, 2022 - Wiley Online Library
The peptidoglycan (PG) cell wall is an essential polymer for the shape and viability of
bacteria. Its protective role is in great part provided by its mesh‐like character. Therefore, PG …
bacteria. Its protective role is in great part provided by its mesh‐like character. Therefore, PG …
[HTML][HTML] Synthesis and recycling of the mycobacterial cell envelope
KA Abrahams, GS Besra - Current Opinion in Microbiology, 2021 - Elsevier
Highlights•The unique mycobacterial cell wall is a layered structure of carbohydrates and
lipids.•The architecture and biosynthesis of the cell wall have largely been …
lipids.•The architecture and biosynthesis of the cell wall have largely been …
Identification of bioactive natural compounds as efficient inhibitors against Mycobacterium tuberculosis protein-targets: a molecular docking and molecular dynamics …
Mycobacterium tuberculosis (Mtb), the etiological agent of tuberculosis (TB), imposes a
significantly high morbidity threat to humans in both developed and develo** nations. The …
significantly high morbidity threat to humans in both developed and develo** nations. The …
A DFT study of the chemical reactivity properties, spectroscopy and bioactivity scores of bioactive flavonols
Density function theory calculations was used to determine the molecular parameters,
electronic and chemical reactivity descriptors, spectroscopy, and non-linear optical …
electronic and chemical reactivity descriptors, spectroscopy, and non-linear optical …
Solvent-free synthesis of nitrobenzyl Schiff bases: Characterization, antibacterial studies, density functional theory and molecular docking studies
Abstract Three (3) Schiff bases;(E)-1-(2-nitrophenyl)-N-(o-tolyl) methanimine (1),(E)-2-
isopropyl-N-(2-nitrobenzylidene) aniline (2),(E)-2-((2-nitrobenzylidene) amino) phenol (3) …
isopropyl-N-(2-nitrobenzylidene) aniline (2),(E)-2-((2-nitrobenzylidene) amino) phenol (3) …
First penicillin-binding protein occupancy patterns for 15 β-lactams and β-lactamase inhibitors in Mycobacterium abscessus
Mycobacterium abscessus causes serious infections that often require over 18 months of
antibiotic combination therapy. There is no standard regimen for the treatment of M …
antibiotic combination therapy. There is no standard regimen for the treatment of M …
Identification of potent L,D-transpeptidase 5 inhibitors for Mycobacterium tuberculosis as potential anti-TB leads: virtual screening and molecular dynamics …
Virtual screening is a useful in silico approach to identify potential leads against various
targets. It is known that carbapenems (doripenem and faropenem) do not show any …
targets. It is known that carbapenems (doripenem and faropenem) do not show any …
QM/MM studies on enzyme catalysis and insight into designing of new inhibitors by ONIOM approach: recent update
Computational enzymology is a rapidly develo** area that uniquely provides deep insight
into the fundamental processes of biological catalysis at the atomic level. Such in‐depth …
into the fundamental processes of biological catalysis at the atomic level. Such in‐depth …
Exploring the bioactivity of pentacyclic triterpenoids as potential antimycobacterial nutraceutics: Insights through comparative biomolecular modelling
A group of bioactive compounds known as triterpenoids, which are often found in plant
materials, have been tested to possess nutritional and pharmaceutical activity. These plant …
materials, have been tested to possess nutritional and pharmaceutical activity. These plant …
Investigating the biological actions of some Schiff bases using density functional theory study
Schiff base ligands have wide varieties of application in several fields. One of which is the
biological actions they possess such as anti-fungal, anti-bacterial, anti-malarial, and anti …
biological actions they possess such as anti-fungal, anti-bacterial, anti-malarial, and anti …