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Drug screening

Identifying potential inhibitors for wild-type EGFR tyrosine kinase through a cross-talk pathway strategy and an in-silico drug repurposing method

Dorra Abdelmalek, Kawther Bedchich, [ ... ], Mohamed Sami Aifa

Structure-based pharmacophore modeling, high-throughput screening, and molecular dynamics identify a novel DrugBank-derived HIV-1 protease inhibitor

Ali Sultan Khazaal Nazal, Amjed Majid Rashid Alrashedi, Lamia Abdultef Risan Al-Iessa, Mustafa Abdulkadhim Hussein Ali Rabeea

Assessing the association between musculoskeletal injury and mental health in rugby players—A cross-sectional study

Mordicai Atinga, Jasmit Shah, [ ... ], Njalalle Baraza

State impulsivity and substance use: A systematic review and meta-analysis protocol

Ashmita Mazumder, Suzanne Erb, Marc A. Fournier

Patient-derived organoids predict chemotherapy response of locally advanced gastric cancer

Miao Huang, Jiahui Chu, [ ... ], Lian Liu

MLGT: A multimodal graph attention network for virtual screening of anti—Uveitis drugs

Yu Sun, Yihang Qin, Wenhao Chen

Protective effect of cannabinoid type II receptor ligand on bleomycin-induced pulmonary fibrosis in mice

Cheng Cao, Run-Lin Wang, [ ... ], Yan Chen

High-throughput screening of drug libraries identifies a new synergistic drug combination for the treatment of retinoblastoma

Po-Jen Tseng, Irina L. Sinenko, [ ... ], Paul J. Dyson

Development of DHODH inhibitors incorporating virtual screening, pharmacophore modeling, fragment-based optimization methods, ADMET, molecular docking, molecular dynamics, PCA analysis, and free energy landscape

Qu Wang, Yu Hao Xu, [ ... ], Zhu Liang

A live cell biosensor protocol for high-resolution screening of therapy-resistant cancer cells

Viral D. Oza, Colin S. Williams, Jessica S. Blackburn

Screening a library of antibacterial compounds leads to discovery of novel inhibitors for Neisseria gonorrhoeae and Chlamydia trachomatis

Abdallah S. Abdelsattar, Nader S. Abutaleb, Mohamed N. Seleem

Auranofin, identified by FDA-approved drug library screening, inhibits HBs antigen secretion via lysosomal damage

Akiyoshi Shimoda, Kazuhiro Murai, [ ... ], Tetsuo Takehara

Analysis of molecular mechanism of Chinese medicine Jinhong decoction (JHD) in synergistically treating sepsis and COVID-19 based on network pharmacology

Jinghan Fan, Yang Yang, [ ... ], Yuzhou He

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