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 …

Unveiling cervical cancer therapeutics from Abrus precatorius and Aphanamixis polystachya: Insights from molecular docking, dynamics simulation, MM/GBSA and …

SS Ahmed, L Suchana, N Sultana… - South African Journal of …, 2023 - Elsevier
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 …

[HTML][HTML] Computational and biological approaches in repurposing ribavirin for lung cancer treatment: Unveiling antitumorigenic strategies

KR Paudel, M Singh, G De Rubis, P Kumbhar… - Life Sciences, 2024 - Elsevier
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 …

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 …

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) …

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 …

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 …

Physiological significance of the two isoforms of initiator tRNAs in Escherichia coli

AK Sahu, RA Shah, D Nashier, P Sharma… - Journal of …, 2024 - journals.asm.org
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 …

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 …

Dynamic interchange between two protonation states is characteristic of active sites of cholinesterases

A Zlobin, I Smirnov, A Golovin - Protein Science, 2024 - Wiley Online Library
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 …