Results 191 to 200 of about 3,160,114 (308)

Dapagliflozin in Chronic Kidney Disease: Insights from Network Pharmacology and Molecular Docking Simulation. [PDF]

Life (Basel)
Phongphithakchai A, Tedasen A, Netphakdee R, Leelawattana R, Srithongkul T, Raksasuk S, Huang JC, Chatatikun M.   +7 more
europepmc   +1 more source

Virtual Screening of Protein Data Bank via Docking Simulation Identified the Role of Integrins in Growth Factor Signaling, the Allosteric Activation of Integrins, and P-Selectin as a New Integrin Ligand. [PDF]

Cells, 2023
Takada Y, Fujita M, Takada YK.
europepmc   +1 more source

SIRT5‐Mediated Desuccinylation of ACAA2 Protects Against Calcium Oxalate‐Induced Kidney Injury by Regulating Fatty Acid Oxidation to Suppress Mitochondrial Oxidative Injury and Ferroptosis

Advanced Science, EarlyView.
The SIRT5/ACAA2 axis maintains lipid metabolic homeostasis in RTECs by promoting ACAA2 desuccinylation and preserving its stability and enzymatic activity, thereby sustaining FAO and limiting PUFA and PUFA‐containing phospholipid accumulation. Under CaOx stress, SIRT5 downregulation impairs FAO, promotes oxidative stress and ferroptosis, and enhances ...
Qinhong Jiang, Caitao Dong, Yuchen Liu, Yuanquan Lou, Wenlong Lin, Sheng Li, Ziqi He   +6 more
wiley   +1 more source

Antibacterial potential of Propolis: molecular docking, simulation and toxicity analysis. [PDF]

AMB Express
Islam S, Hussain EA, Shujaat S, Khan MU, Ali Q, Malook SU, Ali D.   +6 more
europepmc   +1 more source

Comment on Budryn et al. Hydroxybenzoic Acids as Acetylcholinesterase Inhibitors: Calorimetric and Docking Simulation Studies. Nutrients 2022, 14, 2476. [PDF]

Nutrients, 2022
Zarguan I, Benjouad A, Belayachi L.
europepmc   +1 more source

A Metabolic‐Epigenetic Axis of AARS1/IGF2BP3‐K280 Lactylation Sustains Endometrial Cancer Stemness and Recurrence

Advanced Science, EarlyView.
Lactate‐driven endometrial cancer relapse is mediated by enzymatic protein modification. Elevated lactate levels activate AARS1, which catalyzes K280 lactylation of IGF2BP3, therefore stabilizing HMGA2 mRNA and promoting tumor stemness and recurrence.
Peng Jiang, Yunfeng Zheng, Chenfan Tian, Yuan Tu, Xiaoxia Chang, Jiaxin Yu, Hangkun Yu, Chunxia Gong, Jie Xiong, Philip N. Baker, Yong Fu, Chao Tong   +11 more
wiley   +1 more source

Novel Hybrid Heterocycles Based on 1,4-Diphenylpiperazine Moiety: Synthesis via Hantzsch and Biginelli Reactions, Molecular Docking Simulation, and Antimicrobial Activities. [PDF]

ACS Omega
Diab HM, Salem ME, Abdellatif M, Soliman MM, Abdelhamid IA, Elwahy AHM, Raza N, El-Gabry YA.   +7 more
europepmc   +1 more source

An Extracellular Pore‑Targeting Peptide Defines a Designable Allosteric Site in TRPV2

Advanced Science, EarlyView.
Structure‐guided peptide engineering yields Depiv2, a highly potent and subtype‐selective TRPV2 inhibitor that binds to the extracellular pore and remodels it into a closed, non‐conductive state. Depiv2 suppresses pathological cardiac hypertrophy, establishing the TRPV2 outer pore as a designable interface for selective peptide modulation.
Aiqin Zhu, Hongkun Wang, Jiawei Wang, Xiaolu Liu, Aerziguli Aierken, Lizhen Xu, Ping Liang, Fan Yang   +7 more
wiley   +1 more source

Enzymatic characterization and docking simulation of a xylan synthase catalytic subunit, <i>Setaria viridis</i> IRX10, using xylotrimer acceptors with distinct fluorescent labels. [PDF]

Plant Biotechnol (Tokyo)
Suzuki S, Kizuka Y, Mikami B, Yamauchi K, Ishimizu T, Suzuki S.   +5 more
europepmc   +1 more source

A systematic review: Molecular docking simulation of small molecules as anticancer non-small cell lung carcinoma drug candidates. [PDF]

J Adv Pharm Technol Res, 2022
Hidayat S, Ibrahim FM, Suhandi C, Muchtaridi M.   +3 more
europepmc   +1 more source