Exploring binding potential of two new indole alkaloids from <i>Nauclea officinalis</i> against third and fourth generation EGFR: druglikeness, <i>in silico</i> ADMET, docking, DFT, molecular dynamics simulation, and MMGBSA study-Reference-Cited by-同舟云学术

Exploring binding potential of two new indole alkaloids from Nauclea officinalis against third and fourth generation EGFR: druglikeness, in silico ADMET, docking, DFT, molecular dynamics simulation, and MMGBSA study

Published:2024-01-11 Issue: Volume: Page:1-8
ISSN:1478-6419
Container-title:Natural Product Research
language:en
Short-container-title:Natural Product Research

Author:

Rathod Sanket¹^ORCID,Shinde Sonali²^ORCID,Choudhari Prafulla¹^ORCID,Sarkate Aniket²^ORCID,Chaudhari Somdatta³^ORCID,Shingan Aarti³^ORCID

Affiliation:

1. Department of Pharmaceutical Chemistry, Bharati Vidyapeeth College of Pharmacy, Kolhapur, India

2. Department of Chemical Technology, Dr. Babasaheb Ambedkar Marathwada University, Aurangabad, India

3. Department of Pharmaceutical Chemistry, Progressive Education Society’s Modern College of Pharmacy, Pune, India

Publisher

Informa UK Limited

Link

https://www.tandfonline.com/doi/pdf/10.1080/14786419.2023.2301678

Reference36 articles.

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2. Exploring α, β-unsaturated carbonyl compounds against bacterial efflux pumps via computational approach

3. New Anticancer Theobromine Derivative Targeting EGFRWT and EGFRT790M: Design, Semi-Synthesis, In Silico, and In Vitro Anticancer Studies

4. The Assessment of Anticancer and VEGFR-2 Inhibitory Activities of a New 1H-Indole Derivative: In Silico and In Vitro Approaches

5. Estimates of worldwide burden of cancer in 2008: GLOBOCAN 2008

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