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Molecular docking

FAERS-based pharmacovigilance and network toxicology analysis of esomeprazole-associated osteoporosis

Yan Wang, Xiaolong Xu, [ ... ], Jue Lin

Integrative network pharmacology, transcriptomics, and molecular docking identify candidate Centella asiatica constituents and targets in neurodegenerative diseases

Yuxi Xie, Chong-Teik Lim, [ ... ], Tan Huang

Cyclodextrin inclusion complexes enhance the solubility and anti-virulence activity of metronidazole against uropathogenic Proteus mirabilis

Rehab Mahmoud Abd El-Baky, Zeinab Fathalla, [ ... ], Hamdy Abdelkader

Integrated computational analysis identifies FABP4, PTGS2, and HPGD as Key molecular targets linking PET microplastic exposure to metabolic dysfunction-associated steatotic liver disease

Yi Zhang, Yao Yu, [ ... ], Peng Chen

Exosomal gene-based predictive model and therapeutic target identification for Alzheimer’s disease: A bioinformatics analysis

Lei Ma, Dongfeng Wang, [ ... ], Maosong Chen

An integrated multi-omics study of key mediators and therapeutic targets for doxorubicin-induced atrial fibrillation

Zhenli Li, Sihan Liu, [ ... ], Jingtao Ma

Integrated in silico and in vivo larvicidal evaluation of compounds targeting juvenile hormone for malaria vector control

Eric Kibagendi Osoro, Adeniyi Ayinde Abdulwahab, [ ... ], Damilola Samuel Bodun

Toxicity analysis of food contaminants based on network toxicology and molecular docking: A case study of Zearalenone

Xiaobo Xu, RuiLi Miao, [ ... ], Hanna Fotina

In-silico identification of bacterial key-genes directly or indirectly associated with the development and progression of colorectal cancer for exploring anti-bacterial agents

Nibas Kumar Pal, Md. Kaderi Kibria, [ ... ], Md. Nurul Haque Mollah

Analysis of molecular targets and mechanisms of Bisphenol F (BPF)-induced non-alcoholic fatty liver disease (NAFLD) based on network toxicology and molecular dynamics

Riwei Wang, Qiangming Liao, [ ... ], Yun Xia

Quercetin suppresses the progression of HBV-associated hepatocellular carcinoma by modulating the EGFR signaling pathway

Zhijuan Wang, Jinzhen Huang, [ ... ], Qiusheng Zhong

Inhibitory effects of mycosubtilin on proliferation of colon cancer SW480 cells

Jun Yang, Qiong Wu, [ ... ], Jinyu Li

Hydrazone-schiff base derivatives of 4-(tert-butyl)benzoic acid as potent enzyme inhibitors: In vitro α-amylase, α-glucosidase, tyrosinase inhibition and computational studies

Imen Zghab, Sajjad Ahmad, [ ... ], Momin Khan

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