Document Type

Article

Publication Date

1-2017

Publication Title

IOSR Journal of Pharmacy and Biological Sciences (IOSR-JPBS)

Volume

12

Issue

1

First Page

144

Last Page

150

Abstract

The molecular properties of compounds expressing growth inhibition of Mycobacterium tuberculosis are determined and examined for underlying relationships by pattern recognition methods. Pattern recognition methods such as hierarchical cluster analysis will show relationships between compounds. Descriptive statistical analysis of molecular properties reveal commonality among bacteriostatic compounds. Outliers within any category of descriptor is identified by Grubb’s test. Potency of growth inhibition measured as MIC (minimum inhibitory concentration) after in vitro evaluation will be compared and analyzed. Structure moieties and their effect on activity is identified. All compounds analyzed showed substantial growth inhibition of Mycobacterium tuberculosis, having MIC values ranging from 16.7 μgrams/milliliter to 65.9 μgrams/milliliter (isoniazid MIC at 14.7 μgrams/milliliter). Ranges in values of Log P, number of atoms, and molecular weight were, respectively: -1.89 to 1.10, 11 to 25 (isoniazid at 10), and 150.18 grams/mole to 345.38 grams/mole (isoniazid at 137.14). All eight compounds and isoniazid showed favorable bioactivity within six categories of measureable bioactivity scores. The molecular properties of eight compounds and isoniazid varied, however, remained favorable in drug-likeness with zero violations of the Rule of 5. Interrelationships of the descriptors were revealed by statistical analysis.

Comments

DOI: 10.9790/3008-120101144150

This article was originally published here:http://www.iosrjournals.org/iosr-jpbs/papers/Vol12-issue1/Version-1/U120101144150.pdf

IOSR Journal of Pharmacy and Biological Sciences (IOSR-JPBS) e-ISSN:2278-3008, p-ISSN:2319-7676. Volume 12, Issue 1 Ver. I (Jan. - Feb.2017), PP 144-150 www.iosrjournals.org

Download

Included in

Chemistry Commons

Share

COinS