A computational strategy for therapeutic development against superoxide dismutase (SOD1) amyloid formation: effect of polyphenols on the various events in the aggregation pathway-Reference-Cited by-同舟云学术

A computational strategy for therapeutic development against superoxide dismutase (SOD1) amyloid formation: effect of polyphenols on the various events in the aggregation pathway

Published:2023 Issue:8 Volume:25 Page:6232-6246
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Sharma Shilpa¹,Tomar Vijay Raj¹,Jayaraj Abhilash¹^ORCID,Deep Shashank¹^ORCID

Affiliation:

1. Department of Chemistry, Indian Institute of Technology Delhi, Hauz Khas, New Delhi, India, 110016

Abstract

Selection criteria for predicting the aggregation inhibitors of SOD1 based on molecular dynamics simulations. The criteria depend on the binding energy of the ligand as well as on its effect on various events in the aggregation pathway.

Funder

Science and Engineering Research Board

University Grants Commission

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D2CP05537F

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