Jurnal Periodic
Vol 12, No 2 (2023): PERIODIC

Pemodelan Hubungan Muatan Atom Bersih dengan Aktivitas Senyawa Turunan Metronidazol Ariloksi sebagai Antikanker Payudara dengan Metode AM1

Qory Sidwa Jufri (Universitas negeri padang)
Fajriah Azra (Universitas Negeri Padang)

Article Info

Publish Date
01 Aug 2023

Abstract

An analysis study of the relationship between the net atomic charge modeling of 13 aryloxy metronidazole derivative compounds as anti-breast cancer has been carried out, which aims to obtain the net atomic charge value and the HKSA equation. The method used is the semi-empirical method of Austin Model 1 by performing geometry optimization. The best equation model selection is done by means of statistical correlation analysis and multilinear regression with the Backward. From the research results, model 1 is the best model with the equation LogIC50=-777.834+(146.644*qC2)+(434.317*qC5)+(1299.237*qN7)-(243.853*qO8)-(65.686*qC10)-(137.823 *qC11)+(66.348*qO12) Dengan n=7; R= 0.943; R2= 0.89; SE= 0.14774; Sig= 0.036; PRESS= 0.10914.

Copyrights © 2023




Citation Download
RIS
EndNote, Reference Manager, ProCite
BibTex
Latex, Jabref
Original Source
Download Original
Google Scholar
Check in Google Scholar
Journal Info
Jurnal Periodic
Website

Abbrev

kimia

Publisher

Universitas Negeri Padang

Subject

Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Energy Materials Science & Nanotechnology

Description

Periodic adalah jurnal nasional yang berisi artikel-artikel bidang ilmu kimia, seperti bidang Kimia Analitik, Kimia Fisika, Kimia Anorganik, Kimia Organik dan Biokimia. Jurnal ini mempublikasikan hasil penelitian original, komunikasi singkat, dan artikel review. Artikel yang telah diterbitkan dalam ...