Computational investigation of novel pyrimidine derivatives as potent FAK inhibitors<i>via</i>3D-QSAR, molecular docking, molecular dynamics simulation and retrosynthesis-Reference-Cited by-同舟云学术

Computational investigation of novel pyrimidine derivatives as potent FAK inhibitorsvia3D-QSAR, molecular docking, molecular dynamics simulation and retrosynthesis

Published:2023 Issue:27 Volume:47 Page:12816-12829
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

El Bahi Salma¹,Boutalaka Meryem¹,El Alaouy Moulay Ahfid¹,Bouamrane Soukaina¹,Alaqarbeh Marwa²^ORCID,Choukrad M’barek¹,Sbai Abdelouahid¹,Bouachrine Mohammed¹³,Lakhlifi Tahar¹

Affiliation:

1. Molecular Chemistry and Natural Substances Laboratory, Department of Chemistry, Faculty of Science, University of Moulay Ismail, Meknes, Morocco

2. National Agricultural Research Center, AlBaqa 19381, Jordan

3. EST Khenifra, Sultan Moulay Slimane University, Beni Mellal, Morocco

Abstract

Focal adhesion kinase is upregulated in various types of cancer and has become an important research target for the development of more effective anticancer drugs.

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2023/NJ/D3NJ02471G

Reference57 articles.

1. The roles of nuclear focal adhesion kinase (FAK) on Cancer: a focused review

2. Progress in the Development of Small Molecular Inhibitors of Focal Adhesion Kinase (FAK)

3. Drug Discovery Targeting Focal Adhesion Kinase (FAK) as a Promising Cancer Therapy

4. Expression of ASAP1 and FAK in gastric cancer and its clinicopathological significance

5. Study on the interactions of pyrimidine derivatives with FAK by 3D-QSAR, molecular docking and molecular dynamics simulation

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