JUXTA: Jurnal Ilmiah Mahasiswa Kedokteran Universitas Airlangga
Vol. 13 No. 2 (2022): Jurnal Ilmiah Mahasiswa Kedokteran Universitas Airlangga

In-Silico Study: Potential Inhibitor of Cyclin-Dependent Kinase 6 (CDK6) from Natural Plant Compounds for Melanoma Treatment

Putri Aliya Ahadini (Faculty of Medicine, Universitas Airlangga, Surabaya, Indonesia.)
Adhyatma Ismu Reihan (Faculty of Medicine, Universitas Airlangga, Surabaya, Indonesia.)
Muhamad Bagus Wira Utama (Faculty of Medicine, Universitas Airlangga, Surabaya, Indonesia.)
Siti Khaerunnisa (Department of Physiology and Medical Biochemistry, Faculty of Medicine, Universitas Airlangga, Surabaya, Indonesia.)
Fadilah Fadilah (Department of Medical Chemistry, Faculty of Medicine, Universitas Indonesia, Jakarta, Indonesia.)



Article Info

Publish Date
10 Aug 2022

Abstract

Highlights:1. Melanoma is the most aggressive and dangerous type of skin cancer. 2. Cyclin-dependent kinase 6 (CDK6) had a role in melanoma progression.3. Chlorogenic acid, guattegaumerine, luteolin, and acronycine were potential natural compounds in plants as CDK6 inhibitors. AbstractIntroduction: Melanoma is the most aggressive and dangerous type of skin cancer. It usually occurs in the skin because melanocytes originate from the neural crest cells that migrate. A previous study stated misregulation of cyclin-dependent kinase 6 (CDK6) had a role in melanoma progression. This study aimed to identify the potential natural compound targeting and modulating the CDK6.Methods: This was an investigative study using in-silico docking analysis to search for compatible ligands and potential inhibitors to CDK6 protein. This study screened 46 natural compounds based on the drug-likeliness based on Lipinski’s rules of five and used PyRx (AutoDock Vina) software for the initial screening. 10 compounds with the highest binding energy underwent docking simulation using Molecular Operating Environment (MOE) software.Results: Chlorogenic acid, guattegaumerine, luteolin, and acronycine were potential natural compounds in plants as CDK6 inhibitors.Conclusion: This study found that chlorogenic acid was the most potential to be an inhibitor of CDK6 compared to other compounds screened.

Copyrights © 2022






Journal Info

Abbrev

JUXTA

Publisher

Subject

Biochemistry, Genetics & Molecular Biology Immunology & microbiology Medicine & Pharmacology Neuroscience Public Health

Description

Juxta (Jurnal Ilmiah Mahasiswa Kedokteran Universitas Airlangga) is a scientific peer-reviewed medical doctor which relevant to a medical doctor and other health-related professions by the Faculty of Medicine Universitas Airlangga, Indonesia. Juxta provides a forum for original article to the editor ...