In Silico Pharmacol

Pharmacophoric analogs of Savolitinib reveal promising inhibitors of the c-MET receptor tyrosine kinase for drug discovery: in silico investigation.

In-silico identification of novel inhibitors of human androgen receptors and prostrate-specific membrane antigen: a comprehensive target-based molecular docking, molecular dynamics simulation, and ADME-toxicity studies.

Molecular docking of Berberis asiatica-derived compounds targeting DDX3 DEAD BOX RNA helicase of Leishmania donovani.

Unraveling the mechanisms of antitumor action of Sophora flavescens flavonoids via network pharmacology and molecular simulation.

Molecular detection of mecA gene from methicillin-resistant Staphylococcus aureus isolated from clinical and environmental samples and its potential inhibition by phytochemicals using in vitro and in silico approach.

利用体外和计算机模拟方法，对从临床和环境样本中分离的耐甲氧西林金黄色葡萄球菌中的mecA基因进行分子检测，并研究植物化学物质对其的潜在抑制作用

In silico drug repurposing of potential antiviral inhibitors targeting methyltransferase (2'-O-MTase) domain of Marburg virus.

利用计算机模拟方法对靶向马尔堡病毒甲基转移酶（2'-O-MTase）结构域的潜在抗病毒抑制剂进行药物再利用

Molecular dynamics and experimental evaluation of piperine as a potential mTOR inhibitor in colon cancer cells.

胡椒碱作为结肠癌细胞中潜在的 mTOR 抑制剂的分子动力学和实验评价

In vitro and in silico approaches manifest the anti-leishmanial activity of wild edible mushroom Amanita princeps.

体外和计算机模拟方法证实了野生食用蘑菇 Amanita princeps 的抗利什曼原虫活性

The combination of Curcumin and Doxorubicin on targeting PI3K/AKT/mTOR signaling pathway: an in vitro and molecular docking study for inhibiting the survival of MDA-MB-231.

Potentiality of bioactive compounds as inhibitor of M protein and F protein function of human respiratory syncytial virus.