2026-10-12T04:44:10Z https://www.scidb.cn/oai

10.57760/sciencedb.30500 2025-12-16T09:55:34Z

2025-12-16 Molecular Docking Data of Eight Natural Compounds with the β1-Adrenergic Receptor (β1-AR) doi:10.57760/sciencedb.30500 en This dataset contains all necessary files to reproduce the molecular docking simulations presented in the manuscript "Systematic Identification and Recognition Analysis of Beta1-Adrenergic Receptor Targeting Material Basis in Tibetan Medicine Formula Bawei Chenxiang Powder". The docking studies investigated the interactions between eight natural compounds (6-hydroxy-2-(2-phenylethyl) chromone (HPC), 3,4-dihydroxybenzoic acid (DHBA), dehydrocostus lactone (DHL), taxifolin, costunolide, myristicin, gallic acid, and catechin) and the human β1-adrenergic receptor (β1-AR), whose structure was obtained from the Protein Data Bank (PDB ID: 7BVQ). β1-adrenergic receptor; Molecular docking; Protein Data Bank 7BVQ; Tibetan medicine Chen Lixiang He Yunzhi Fan Junni Li Liangxi Zhang Shasha Wu Mengze Xie Yuxin Yuan Xinyi Li Qian Ji Xu PUBLIC https://creativecommons.org/publicdomain/zero/1.0/ dataset Science Data Bank