Thapliyal et al (2013) Biotechnology International 6(4): 48-57
48
©Biotechnology Society www.bti.org.in
ISSN 0974-1453
Research Article
QUERCETIN, BERGAPTEN AND BARBERINEB AS ANALOGUES OF RIFAMPICIN
AND ISONIAZID SCREENED IN-SILICO FROM HERBAL PLANTS OF
UTTARAKHAND FOR THE TREATMENT OF TUBERCULOSIS (TB)
Taranjeet Kapoor, Prabhakar Semwal, Prashant Anthwal, Madhu Thapliyal
1
,
AshishThapliyal*
Department of Biotechnology, Graphic Era University, Dehradun (UK), India-248002
*Corresponding author: ashish.thapliyal@gmail.com
1
Dept. of Zoology, Pt. LMS Govt. PG College, Rishikesh, India
ABSTRACT: Mycobacterium tuberculosis (MBT) has become resistant to most of the drugs
that were being used for the treatment of tuberculosis (TB). With this increase in the
resistance of MBT towards almost all drugs, the need for new drugs that can inhibit the
activity of MBT and treat millions of patients worldwide is one of the major reasons of
concern. In-silico analysis of phytochemicals has provided the potential to screen
numerous phytochemicals. By employing a Molecular docking software iGEMDOCK, 3
possible analogues of Rifampicin and Isoniazid which are known inhibitors of MBT were
screened based on the comparison of their binding energies to the known inhibitors.
Isoniazid inhibits Enoyl-acyl carrier protein (InhA), which is responsible for the synthesis
of type II fatty acid and Rifampicin inhibits the protein mycobacterium dependent RNA-
polymerase required for RNA synthesis. Quercetin, Bergapten and Barberineb are the
chemical compounds which can be the best possible analogues of Rifampicin and Isoniazid
as they bind to their target proteins with the same binding energy as the two known
inhibitors.
Keywords: Mycobacterium tuberculosis (MBT), iGEMDOCK, Rifampicin, Isoniazid,
Quercetin, Bergapten and Barberineb.