Pharmacy Reports
Vol. 1 No. 1 (2021): Pharmacy Reports

In silico studies of isatinyl-2-aminobenzoylhydrazone transition metal complexes against cyclin-dependent kinase 6 (CDK6)

Yesaya Reformyada Nusantoro (Department of Chemistry, Institut Teknologi Sepuluh Nopember, Surabaya, Indonesia)
Arif Fadlan (Department of Chemistry, Institut Teknologi Sepuluh Nopember, Surabaya, Indonesia)

Article Info

Publish Date
10 Aug 2021

Abstract

Cyclin-dependent kinase 6 (CDK6) is an important member of protein kinases, involving in many cellular pathways especialy cell cycle progression. Thus, CDK6 is a promising target in cancer therapy. This report aims to predict inhibiton of CDK6 by some complex compounds by using molecular docking and pharmacological properties analysis. Those compounds are isatinyl-2-aminobenzoylhydrazone (ISABH) and cobalt (II), nickel (II), copper (II), and zinc (II) transition metal complexes. The molecular docking against CDK6 (PDB code: 3NUP) revealed that ISABH/ISABH-transition metal complexes established ligand-protein interaction as expressed by negative binding affinity values. Drug-likeness by SwissADME indicated that ISABH and Ni-ISABH met the Lipinski’s rule of five. Both compounds also showed reasonable pharmacological criteria by admetSAR.

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Journal Info
Pharmacy Reports
Website

Abbrev

pharmrep

Publisher

Indonesian Young Scientist Group

Subject

Biochemistry, Genetics & Molecular Biology Chemistry Health Professions Immunology & microbiology Medicine & Pharmacology

Description

Pharmacy Reports is an open-access journal publishing peer-reviewed research in the pharmacy field, covering topics in pharmaceutics, biomedicine, pharmaceutical chemistry, bioinformatics, natural product, pharmacology and toxicology, and clinical pharmacy. Pharmacy Reports invites you to submit ...