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Yesaya Reformyada Nusantoro
Department of Chemistry, Institut Teknologi Sepuluh Nopember, Surabaya, Indonesia
Biochemistry, Genetics & Molecular Biology Chemistry Health Professions Immunology & microbiology Medicine & Pharmacology

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In silico studies of isatinyl-2-aminobenzoylhydrazone transition metal complexes against cyclin-dependent kinase 6 (CDK6) Yesaya Reformyada Nusantoro; Arif Fadlan
Pharmacy Reports Vol. 1 No. 1 (2021): Pharmacy Reports
Publisher : Indonesian Young Scientist Group and UPN Veteran Jakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (339.076 KB) | DOI: 10.51511/pr.4

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.
Co-Authors Fadlan, Arif