UHPLC-QTOF-MS/MS profiling, molecular networking, and molecular docking analysis of Gliricidia sepium (Jacq.) Kunth. ex. Walp. stem ethanolic extract and its gastroprotective effec... by Aya A. Wafaey, Seham S. El-Hawary, Osama G. Mohamed, Sahar S. Abdelrahman, Alaa M. Ali, Ahmed A. El-Rashedy, Mohamed F. Abdelhameed, Farid N. Kirollos

Subjects: Get full text

Antiviral Activity and Underlying Mechanism of <i>Moslae herba</i> Aqueous Extract for Treating SARS-CoV-2 by Yan Feng, Qiong Ge, Jian Gao, Zhuoying Wu, Yunyi Zhang, Haiyan Mao, Beibei Wu, Changping Xu

Subjects: Get full text

In silico binding role of flavonoids as SARS-CoV-2 main protease (Mpro) inhibitors: A dataset of molecular docking simulation-based high-throughput virtual screening (HTVS)Mendeley... by Mariyam Eema, Vasudeva Rao Avupati

Subjects: Get full text

Network pharmacology-based screening of the active ingredients and mechanisms of Cymbaria daurica against diabetes mellitus by Ruyu Shi, Dongxue Chen, Mingyue Ji, Baochang Zhou, Ziyan Zhang, Chunhong Zhang, Minhui Li

Subjects: Get full text

Elucidating the pharmacological foundations and mechanisms of the Sihai Shuyu formula in treating Graves’ disease through integrated serum metabolomics and network pharmacology wit... by Xiaoju Liu, Xingjia Li, Wenbin Huang, Yifan Cui, Fengyun Cheng, Guofang Chen, Guofang Chen, Xiaodong Mao, Chao Liu, Chao Liu, Shuhang Xu

Subjects: Get full text

A computational chemistry-based approach to optimizing PD-1/PD-L1 inhibitors by Meijuan Zhai, Shiliang Ji, Haoran Hu, Yongjie Wu, Yi Shi, Ruifang Zhu, Yiguo Jiang, Yang Yang

Subjects: Get full text

Anti-lung Cancer Mechanism of Quercetin Based on Network Pharmacology and Experimental Validation by Yi WANG, Xiaofang PU

Subjects: Get full text

Mechanism of the blood-brain barrier modulation by cadherin peptides by Elinaz Farokhi, Ahmed L. Alaofi, Vivitri D. Prasasty, Filia Stephanie, Marlyn D. Laksitorini, Krzysztof Kuczera, Teruna J. Siahaan

Subjects: Get full text

Drimartol B, a sesquiterpene coumarin of the edible powder of Artemisia sphaerocephala seed, induced apoptosis in NSCLC cells via PI3K/AKT/FoxO3a pathway inhibition by Jiwen Li, Zhongyu Li, Mengru Cui, Mei Sun, Lei Men, Xiaojie Gong, Keke Li

Subjects: Get full text

Protein-ligand binding affinity prediction using multi-instance learning with docking structures by Hyojin Kim, Heesung Shim, Aditya Ranganath, Stewart He, Garrett Stevenson, Jonathan E. Allen

Subjects: Get full text

Exploring the inhibitory effect and mechanism of isorhamnetin therapy on oral squamous cell carcinoma based on network pharmacology and molecular docking by YU Fangfang, ZHOU Jingjing, YANG Jie, QU Huijuan, HUI Guangyan

Subjects: “…isorhamnetin|oral squamous cell carcinoma|pi3k/akt signaling pathway|src tyrosine kinase|estrogen receptor-1|network pharmacology|molecular docking|experimental verification <i>in vitro</i>…”
Get full text