Jurnal Kimia Mulawarman
Vol 14 No 2 (2017)

STUDI DOCKING MOLEKULAR SENYAWA ASAM SINAMAT DAN DERIVATNYA SEBAGAI INHIBITOR PROTEIN 1J4X PADA SEL KANKER SERVIKS

Susmi Ferwadi (Jurusan Kimia FMIPA UNMUL)
Rahmat Gunawan (Jurusan Kimia FMIPA UNMUL)
Winni Astuti (Jurusan Kimia FMIPA UNMUL)



Article Info

Publish Date
29 May 2017

Abstract

Molecular docking of cinnamate acid compound and its derivatives as protein 1J4X inhibitor to cervical cancer cell has been done. The result showed that the docking energies on mode 1 of inhibitor molecules are -5.7 kcal/mol for cinnamate acid, -6.0 kcal/mol for phenyl cinnamate, -4.7 kcal/mol for methyl cinnamate and -7.5 kcal/mol for 4-phenylchroman-2-on. The inhibitor molecules were interacted with the amino acids of the cervical cancer cell by forming hydrogen bondings. Cinnamate acid formed hydrogen bondings with amino acids of serine 124, glycine 127, tyrosine 128, serine 129 and arginine 130. Phenyl cinnamate formed hydrogen bonding with amino acid of serine 129. Methyl cinnamate formed hydrogen bonding with amino acid of serine 129. 4-phenylchroman-2-on formed hydrogen bondings with amino acids of serine 124, serine 129 and arginine 130. Cinnamate acid is more potential as anticancer drug than phenyl cinnamate, methyl cinnamate and 4-phenylchroman-2-on

Copyrights © 2017






Journal Info

Abbrev

JKM

Publisher

Subject

Chemistry

Description

Journal of Kimia Mulawarman is a peer-reviewed, open access journal that publishes original research articles, review articles, as well as short communication in all areas of chemistry, including educational chemistry and applied ...