Docking, molecular dynamics, binding energy-MM-PBSA studies of naphthofuran derivatives to identify potential dual inhibitors against BACE-1 and GSK-3β-Reference-Cited by-同舟云学术

Docking, molecular dynamics, binding energy-MM-PBSA studies of naphthofuran derivatives to identify potential dual inhibitors against BACE-1 and GSK-3β

Published:2018-01-19 Issue:2 Volume:37 Page:275-290
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Kumar Akhil¹,Srivastava Gaurava¹,Negi Arvind S.²,Sharma Ashok¹^ORCID

Affiliation:

1. Biotechnology Division, CSIR-Central Institute of Medicinal and Aromatic Plants, P.O. CIMAP, Lucknow 226015, Uttar Pradesh, India

2. Chemical Sciences Division, CSIR-Central Institute of Medicinal and Aromatic Plants, P.O. CIMAP, Lucknow 226015, Uttar Pradesh, India

Funder

Council for Scientific and Industrial Research, Indian Council of Medical Research,

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2018.1426043

Reference46 articles.

1. Structural insights into conformational stability of both wild-type and mutant EZH2 receptor

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4. Design of Glycogen Synthase Kinase-3 Inhibitors: An Overview on Recent Advancements

5. Molecular dynamics simulation studies of GSK-3β ATP competitive inhibitors: understanding the factors contributing to selectivity

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