Molecular docking study of Keji Beling leave compound as protein 1J4X inhibitor to cervical cancer cell

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

Abstract

VHR (Vaccinia H1-related phosphatase) is a protein that is involved in cervical cancer. 1J4X protein as a protein for cervical cancer cells is a structure of the VHR (Vaccinia H-1 related phosphate) receptor protein whose inhibition can reduce proliferation of cervical cancer cells. With current treatments which are expensive and cause side effects, alternative treatments are needed that are safe and do not cause side effects. Keji beling leaves are known to contain flavonoid compounds which are natural phenolic compounds that have the potential as anticancer. At present the design and development of new drugs can begin to be done in silico with biocomputing studies to analyze interactions known as molecular docking. With this method, the prediction of binding macromolecules (receptors) in the form of protein targets and small molecules (ligands) in the form of compound candidates can be carried out efficiently using software that utilizes docking algorithms and scoring functions. Molecular docking test results give the best docking score for quercetin which is -6.7, followed by n-hexadecanoic acid of -5.1 and finally 9-dodecenoic acid, methyl ester, (E) - worth -4.2 of 1J4X protein. Quercetin is a compound with the best inhibition potential against VHR which is indicated by the lowest docking score.

Original languageEnglish
Title of host publication5th International Tropical Renewable Energy Conference, i-TREC 2020
EditorsRidho Irwansyah, Muhammad Arif Budiyanto
PublisherAmerican Institute of Physics Inc.
ISBN (Electronic)9780735441286
DOIs
Publication statusPublished - 23 Sep 2021
Event5th International Tropical Renewable Energy Conference, i-TREC 2020 - Depok, Indonesia
Duration: 29 Oct 202030 Oct 2020

Publication series

NameAIP Conference Proceedings
Volume2376
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616

Conference

Conference5th International Tropical Renewable Energy Conference, i-TREC 2020
Country/TerritoryIndonesia
CityDepok
Period29/10/2030/10/20

Keywords

  • 1J4X protein
  • keji beling
  • molecular docking
  • quercetin
  • VHR

Fingerprint

Dive into the research topics of 'Molecular docking study of Keji Beling leave compound as protein 1J4X inhibitor to cervical cancer cell'. Together they form a unique fingerprint.

Cite this