High Throughput Screening of 7-Methylpicene-1,2-Diol as Arylamine N-Acetyltransferase (NAT) Inhibitor to Establish a Isoniazid Supplement in Anti-Tubercular Therapy

Title:High Throughput Screening of 7-Methylpicene-1,2-Diol as Arylamine N-Acetyltransferase (NAT) Inhibitor to Establish a Isoniazid Supplement in Anti-Tubercular Therapy

Volume: 16 Issue: 9

Author(s): Abhishek Chowdhury, Paulomi Paul and Manabendra Dutta Choudhury

Affiliation:

Keywords: Anti-tubercular drug, Arylamine N-acetyltransferase, isoniazid, MDR-TB, NAT, 7-methylpicene-1, 2-diol.

Abstract: Mycobacterium tuberculosis (Mtb), due to its unusual organization crosses different immune barriers and causes tuberculosis. The advent of multidrug resistance tuberculosis (MDR-TB) has attained alarming situation. Hence, computational drug design has been performed in this work to find potent molecules for this purpose.

Isoniazid is a widely used frontline drug against tuberculosis. But reports justified the inactivity of isoniazid on acetylation by Arylamine N-acetyltransferase (NAT). 35 countries were highlighted to have isoniazid resistance from survey in 1998. Hence, Mtb NAT has been selected as the target in the present case and hundred compounds were screened in order to find potent NAT inhibitor to raise the efficacy of isoniazid.

Molecular docking with Biosolveit LeadIT and Autodock 4.2 simulation was performed. The result showed 7- methylpicene-1, 2-diol to have -26.77 and -8.26 kcal/mol score in LeadIT and Autodock 4.2. The work validated 7- methylpicene-1, 2-diol to be a potent NAT inhibitor to supplement isoniazid.

Cite this article as:

Chowdhury Abhishek, Paul Paulomi and Choudhury Dutta Manabendra, High Throughput Screening of 7-Methylpicene-1,2-Diol as Arylamine N-Acetyltransferase (NAT) Inhibitor to Establish a Isoniazid Supplement in Anti-Tubercular Therapy, Combinatorial Chemistry & High Throughput Screening 2013; 16 (9) . https://dx.doi.org/10.2174/13862073113169990004