Discovery of new potent lysine specific histone demythelase-1 inhibitors (LSD-1) using structure based and ligand based molecular modelling and machine learning-Reference-Cited by-同舟云学术

Discovery of new potent lysine specific histone demythelase-1 inhibitors (LSD-1) using structure based and ligand based molecular modelling and machine learning

Published:2022 Issue:55 Volume:12 Page:35873-35895
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Alabed Shada J.¹,Zihlif Malek²,Taha Mutasem³^ORCID

Affiliation:

1. Department of Pharmacy, Faculty of Pharmacy, Al-Zaytoonah University of Jordan, Amman, Jordan

2. Department of Pharmacology, Faculty of Medicine, University of Jordan, Amman, Jordan

3. Department of Pharmaceutical Sciences, Faculty of Pharmacy, University of Jordan, Amman, Jordan

Abstract

Structure-based and ligand-based pharmacophores were allowed to compete within genetic algorithm/machine learning to yield three pharmacophores. Subsequent virtual screening identified three nanomolar LSD-1 inhibitors.

Funder

Deanship of Academic Research, University of Jordan

University of Jordan

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2022/RA/D2RA05102H

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