Results 141 to 150 of about 69,829 (264)

Integration of epidemiological surveys, network pharmacology, and molecular docking simulation to explore the potential key targets of propofol-induced euphoria. [PDF]

Naunyn Schmiedebergs Arch Pharmacol
Wang L, Liao Z, Qiu G, Yang B.
europepmc   +1 more source

Functional Suppression of SCAP Triggers Endoplasmic Reticulum Stress‐Dependent Ferroptosis by Impairing Cholesterol Metabolism in Gastric Cancer

Advanced Science, EarlyView.
This study reveals a novel GC therapy targeting cholesterol homeostasis. Inhibiting the SCAP sterol‐sensing domain causes lethal ER stress via cholesterol accumulation, paradoxically forcing continuous synthesis that triggers ferroptosis. The findings link sterol sensing, metabolic dysregulation, and ferroptosis, establishing an anti‐cancer paradigm ...
Qianqian Xu, Guangzhao Pan, Lele Zhang, Xiangliu Chen, Kui Zhang, Yang Lu, Zibo Duan, Aiping Chen, Hailong Shen, Yuxi Zhang, Xiaowu Dong, Jinzhou Huang, Xing Huang, Kai Miao, Qian Hua, Fangfang Tao, Weidong Zhang, Jiang‐Jiang Qin   +17 more
wiley   +1 more source

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

Anti-HIV-drug and phyto-flavonoid combination against SARS-CoV-2: a molecular docking-simulation base assessment. [PDF]

J Biomol Struct Dyn, 2022
Swain SS, Singh SR, Sahoo A, Hussain T, Pati S.   +4 more
europepmc   +1 more source

THBS1+ Macrophages Exacerbate Modic Changes via SDC4‐Dependent Activation of NLRP3 Inflammasome

Advanced Science, EarlyView.
The illustration of THBS1+ macrophages exacerbate MCs via SDC4‐dependent activation of the NLRP3 inflammasome. THBS1+ macrophage subpopulation was identified in MCs through single‐cell RNA sequencing. C. acnes and its metabolites activate THBS1 expression in macrophages via the TLR signaling pathway.
Xiangxi Kong, Qize Xue, Xiaoan Wei, Jie Li, Bao Huang, Weishao Chen, Zimin Cai, Tao Yang, Chengjun Yao, Jiayan Jin, Bohan Cai, Xuyang Zhang, Junhui Liu, Haihao Wu, Jian Chen, Zhi Shan, Fengdong Zhao   +16 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

Lactate‐Driven Restriction of Mitochondrial Permeability Transition Promotes Resistance to Chemo‐Immunotherapy by Suppressing Tumor PANoptosis

Advanced Science, EarlyView.
Tumor‐derived lactate establishes a metabolic lock that drives chemo‐immunotherapy resistance by suppressing PANoptosis. Mechanistically, KAT8 lactylates the mitochondrial translocator ANT2, which recruits PGAM5 to dephosphorylate CypD. This cascade restricts mitochondrial permeability transition pore opening, preventing pro‐inflammatory mtDNA leakage.
Sen Zhong, Wenlong Chen, Fanglong Liu, Shengyi Zhou, Bolin Yu, Yuying Wang, Xiqian Zhou, Xuehui Wang, Diya Liu, Zhuoyu Zhang, Xinran Wang, Mounia Lalouly, Yiwen Li, Zhefei Du, Tao Yan, Zhihui Xiao, Zhou Zhou, Huanhuan Zhu, Fengyuan Qian, Bowen Zheng, Lin Fang   +20 more
wiley   +1 more source

Mechanism of curcumin on immune function in geese based on network pharmacology and molecular docking

Siliao yanjiu
The experiment aimed to investigate the molecular mechanism of curcumin in regulating the immune function of geese. A combination of network pharmacology, molecular docking, and molecular dynamics simulation was employed.
XIA Yuqin, ZHAO Jiaxin, LIU Qi, WEI Chunbo   +3 more
doaj  

Molecular docking simulation reveals ACE2 polymorphisms that may increase the affinity of ACE2 with the SARS-CoV-2 Spike protein. [PDF]

Biochimie, 2021
Calcagnile M, Forgez P, Iannelli A, Bucci C, Alifano M, Alifano P.   +5 more
europepmc   +1 more source

Application of molecular docking simulation to screening of metal–organic frameworks

Computational Materials Science, 2023
Barbiellini Bernardo, Keshavarz Fatemeh
openaire   +1 more source