IOSR Journal of Pharmacy and Biological Sciences (IOSR-JPBS)
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.
Bartzatt, Ronald, "Relative Properties and Relative Potency of Various Hydrazide Compounds That Inhibit Growth of Mycobacterium tuberculosis" (2017). Chemistry Faculty Publications. 38.