Identification of novel PI3Kδ inhibitors by docking, ADMET prediction and molecular dynamics simulations-Reference-Cited by-同舟云学术

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Identification of novel PI3Kδ inhibitors by docking, ADMET prediction and molecular dynamics simulations

Published:2019-02 Issue: Volume:78 Page:190-204
ISSN:1476-9271
Container-title:Computational Biology and Chemistry
language:en
Short-container-title:Computational Biology and Chemistry

Author:

Liu Ya-Ya,Feng Xiao-Yan,Jia Wen-Qing,Jing Zhi,Xu Wei-Ren,Cheng Xian-Chao

Funder

Natural Science Foundation of Tianjin

Opening Project of Shanghai Key Laboratory of New Drug Design

National Natural Science Foundation of China

China Postdoctoral Science Foundation

Publisher

Elsevier BV

Subject

Computational Mathematics,Organic Chemistry,Biochemistry,Structural Biology

Reference47 articles.

1. Structural insights into conformational stability of both wild-type and mutant EZH2 receptor;Aier;Sci. Rep.,2016

2. Virtual screening, docking, ADMET and system pharmacology studies on Garcinia caged xanthone derivatives for anticancer activity;Alam;Sci. Rep.,2018

3. Idelalisib impairs TREM-1 mediated neutrophil inflammatory responses;Alflen;Sci. Rep.,2018

4. Umbralisib inhibits PI3Kdelta with less toxicity than previous inhibitors;Cancer Discov.,2018

5. Exploring the novel heterocyclic derivatives as lead molecules for design and development of potent anticancer agents;Azad;J. Mol. Graphics Modell.,2018

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