Flavonoids as promising anticancer agents: an <i>in silico</i> investigation of ADMET, binding affinity by molecular docking and molecular dynamics simulations-Reference-Cited by-同舟云学术

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Flavonoids as promising anticancer agents: an in silico investigation of ADMET, binding affinity by molecular docking and molecular dynamics simulations

Published:2022-09-27 Issue: Volume: Page:1-12
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Biharee Avadh¹²^ORCID,Yadav Arpita³^ORCID,Jangid Kailash⁴^ORCID,Singh Yogesh¹^ORCID,Kulkarni Swanand¹^ORCID,Sawant Devesh M.⁴^ORCID,Kumar Pradeep¹^ORCID,Thareja Suresh¹^ORCID,Jain Akhlesh Kumar²^ORCID

Affiliation:

1. Department of Pharmaceutical Sciences and Natural Products, Central University of Punjab, Bathinda, Punjab, India

2. School of Pharmaceutical Sciences, Guru Ghasidas Central University, Bilaspur, Chhattisgarh, India

3. R.K. College of Pharmacy, Prayagraj, Uttar Pradesh, India

4. Department of Pharmacy, Central University of Rajasthan, Ajmer, Rajasthan, India

Funder

Indian Council of Medical Research (ICMR), Govt. of India

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2022.2126397

Reference57 articles.

1. Flavonoids in Cancer and Apoptosis

2. In vitro cytotoxicity of (−)-catechin gallate, a minor polyphenol in green tea

3. Structure-activity relationship and MM2 energy minimized conformational analysis of quercetin and its derivatives in the DPPH• radical scavenging capacity

4. Dual Aromatase-Sulphatase Inhibitors (DASIs) for the Treatment of Hormone Dependent Breast Cancer

5. Structure Guided Molecular Docking Assisted Alignment Dependent 3DQSAR Study on Steroidal Aromatase Inhibitors (SAIs) as Anti-breast Cancer Agents

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