Structure-based virtual screening, molecular simulation and free energy calculations of traditional Chinese medicine, ZINC database revealed potent inhibitors of estrogen-receptor α (ERα)-Reference-Cited by-同舟云学术

Structure-based virtual screening, molecular simulation and free energy calculations of traditional Chinese medicine, ZINC database revealed potent inhibitors of estrogen-receptor α (ERα)

Published:2023-10-30 Issue: Volume: Page:1-14
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Shahab Muhammad¹,Zulfat Maryam²,Zheng Guojun¹

Affiliation:

1. State Key Laboratories of Chemical Resources Engineering, Beijing University of Chemical Technology, Beijing, China

2. Department of Biochemistry, Abdul Wali Khan University, Mardan, Pakistan

Funder

the National Key R&D Program of China

and Beijing Natural Science Foundation

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2023.2275174

Reference51 articles.

1. Identification of Potential Inhibitors of 3CL Protease of SARS-CoV-2 From ZINC Database by Molecular Docking-Based Virtual Screening

2. Structural Homology-Based Drug Repurposing Approach for Targeting NSP12 SARS-CoV-2

3. New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays

4. Biological response of cancer cells to radiation treatment

5. The increasing roles of epigenetics in breast cancer: Implications for pathogenicity, biomarkers, prevention and treatment

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