Selective ADA2 inhibition for enhancing anti-tumor immune response in glioma: Insights from computational screening of flavonoid compounds
S Banerjee, R Majumder, B Mukherjee… - International Journal of …, 2023 - Elsevier
Brain tumors, particularly gliomas, remain difficult to treat due to their complex and dynamic
microenvironment and high mortality rate. The presence of tumor-associated macrophages …
microenvironment and high mortality rate. The presence of tumor-associated macrophages …
Unveiling cervical cancer therapeutics from Abrus precatorius and Aphanamixis polystachya: Insights from molecular docking, dynamics simulation, MM/GBSA and …
Cervical cancer is the fourth most prevalent form of cancer affecting women, which poses a
significant concern, especially in middle-and lower-income countries with an approximately …
significant concern, especially in middle-and lower-income countries with an approximately …
[HTML][HTML] Computational and biological approaches in repurposing ribavirin for lung cancer treatment: Unveiling antitumorigenic strategies
Lung cancer is among leading causes of death worldwide. The five-year survival rate of this
disease is extremely low (17.8%), mainly due to difficult early diagnosis and to the limited …
disease is extremely low (17.8%), mainly due to difficult early diagnosis and to the limited …
Tryptophan-Centric Bioinformatics Identifies New Lasso Peptide Modifications
LA Harris, H Saad, KE Shelton, L Zhu, X Guo… - Biochemistry, 2024 - ACS Publications
Lasso peptides are a class of ribosomally synthesized and post-translationally modified
peptides (RiPPs) defined by a macrolactam linkage between the N-terminus and the side …
peptides (RiPPs) defined by a macrolactam linkage between the N-terminus and the side …
Characterization and protein engineering of a novel UDP-glycosyltransferase involved in pseudoginsenoside Rt5 biosynthesis from Panax japonicus
P Li, C Huang, T Niu, X Yang, H Guan, L Ding… - International Journal of …, 2024 - Elsevier
As one of rare high-value ocotillol (OCT)-type ginsenosides, pseudoginsenoside Rt5 has
been identified with significant pharmacological activities. UDP-glycosyltransferases (UGTs) …
been identified with significant pharmacological activities. UDP-glycosyltransferases (UGTs) …
Novel Inhibitors of SARS-CoV-2 RNA Identified through Virtual Screening
G Mathez, A Brancale, V Cagno - Journal of Chemical Information …, 2024 - ACS Publications
We currently lack antivirals for most human viruses. In a quest for new molecules, focusing
on viral RNA, instead of viral proteins, can represent a promising strategy. In this study, new …
on viral RNA, instead of viral proteins, can represent a promising strategy. In this study, new …
ANI Neural Network Potentials for Small Molecule pKa Prediction.
RJ Urquhart, A van Teijlingen, T Tuttle - Physical Chemistry Chemical …, 2024 - pubs.rsc.org
The pKa value of a molecule is of interest to chemists across a broad spectrum of fields
including pharmacology, environmental chemistry and theoretical chemistry. Determination …
including pharmacology, environmental chemistry and theoretical chemistry. Determination …
Physiological significance of the two isoforms of initiator tRNAs in Escherichia coli
Escherichia coli possesses four initiator tRNA (i-tRNA) genes, three of which are present
together as metZWV and the fourth one as metY. In E. coli B, all four genes (metZWV and …
together as metZWV and the fourth one as metY. In E. coli B, all four genes (metZWV and …
Exploring the Potential Mechanisms of Guanxinshutong Capsules in Treating Pathological Cardiac Hypertrophy based on Network Pharmacology, Computer-Aided …
Y Liu, Q Li, C Shao, Y She, H Zhou, Y Guo, H An… - ACS …, 2024 - ACS Publications
Cardiovascular diseases (CVDs) are significant causes of morbidity and mortality worldwide,
and pathological cardiac hypertrophy (PCH) is an essential predictor of many heart …
and pathological cardiac hypertrophy (PCH) is an essential predictor of many heart …
Dynamic interchange between two protonation states is characteristic of active sites of cholinesterases
Cholinesterases are well‐known and widely studied enzymes crucial to human health and
involved in neurology, Alzheimer's, and lipid metabolism. The protonation pattern of active …
involved in neurology, Alzheimer's, and lipid metabolism. The protonation pattern of active …