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Letters in Drug Design & Discovery


ISSN (Print): 1570-1808
ISSN (Online): 1875-628X

Design and In Vitro Evaluation of Five Inhibitors of Mycobacterium Tuberculosis

Author(s): Ronald Bartzatt, Suat L. G. Cirillo and Jeffrey D. Cirillo

Volume 4, Issue 2, 2007

Page: [137 - 143] Pages: 7

DOI: 10.2174/157018007779422451

Price: $65


Five compounds -1, 2, 3, 4, and 5 were placed into tissue culture similarly to isoniazid at concentrations ranging from 0.03125 mg/mL to 2.00 mg/mL, with Mycobacterium tuberculosis. Compounds 1 and 5 showed substantial growth inhibition at the lowest concentration of 0.03125 mg/mL, whereas compounds 2, 3, and 4 demonstrated similar effects starting at 0.0625 mg/mL. Compounds 2 and 3 showed polar surface area of 55.12 A2, suitable for penetrating the blood-brain barrier. Hierarchical cluster analysis, principal coordinates analysis, and principal components analysis were utilized to analyze numerical values of properties for all drugs and showed that isoniazid is highly similar to compounds 2 and 3, with compound 1 distinct from all other drugs, with compounds 4 and 5 having high similarity. This comparison was confirmed by by principal coordinates analysis and principal components analysis. Multiple regression analysis produced an equation that accurately predicts formula weight for similar drugs utilizing molar refractivity, molar volume, parachor, and polar surface area. Compounds 1, 2, 3, and isoniazid showed no violations of the Rule of 5, which indicates properties that enhance drug absorbance. Compounds 2, 3, 4, and 5 were synthesized by utilizing microwave methodology.

Keywords: Tuberculosis, Mycobacteria, Hydrazine, Isoniazid, Antibacterial, MDR

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