Journal of Tropical Pharmacy and Chemistry
Vol. 2 No. 5 (2014): Journal of Tropical Pharmacy and Chemistry

Quantitatif Structure-Activity Relationship Analysis of a Carbazole Analog Compounds as Antibacterial using Electronical Descriptors

Islamudin Ahmad (Laboratorium Penelitian dan Pengembangan Kefarmasian "Farmaka Tropis", Fakultas Farmasi, Universitas Mulawarman, Samarinda, Indonesia)

Article Info

Publish Date
31 Dec 2014

Abstract

The Quantitatif Structure-Activity Relationship (QSAR) study has been established on 13 Carbazole analog compounds to their antibacterial activity using electronical descriptors. The development of computational chemistry, in particular quantum chemical calculation progression, has made the possibility of molecule modeling and pharmacochemistry exploration of molecule structures. This emerging semiempirical method can be implemented in QSAR using Hansch model. A research associated with QSAR antibacterial activity of Carbazole analog compounds which used semiempirical AM1 (Austin Model 1) method has been conducted. The geometrical optimation of 2D into 3D structures was done utilizing HyperChem program with the Polak – Ribiere algorithm. Results revealed that atom in the position C8, C9, C10 and C12 are necessary to predict biological activity of Carbazoleanalog. Keywords: QSAR, Atomic Net Charges, Cross Validation Methods

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Journal Info
Journal of Tropical Pharmacy and Chemistry
Website

Abbrev

jtpc

Publisher

Universitas Mulawarman

Subject

Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Medicine & Pharmacology Public Health

Description

Journal of Tropical Pharmacy and Chemistry is a Biannual, international, open access (Indexed in DOAJ, Crossref, SINTA, PKP Index, BASE, Moraref, Google Scholar), journal dedicated to various disciplines of pharmaceutical and allied sciences. Journal of Tropical Pharmacy and Chemistry (ISSN-p: ...