©1996-2019. All Rights Reserved. Online Journal
of Bioinformatics . You
may not store these pages in any form except for your own personal use. All
other usage or distribution is illegal under international copyright treaties.
Permission to use any of these pages in any other way besides the before mentioned must be gained in writing from
the publisher. This article is exclusively copyrighted in its entirety to OJB
publications. This article may be copied once but may not be, reproduced or re-transmitted without the express permission of the
editors. This
journal satisfies the refereeing requirements (DEST) for the Higher Education
Research Data Collection (Australia). Linking: To link to this
page or any pages linking to this page you must link directly to this page only
here rather than put up your own page.
OJBTM
Online Journal of Bioinformatics ©
Volume 16 (2):
202-225, 2015.
Anti-tuberculosis activity and molecular docking of dihydro-pyrimidinone derivatives
Durga Prasad Beda*1,2 , Girija Sastry Vedula2 ,
Jayasimha Rayalu Daddam3.
1Department of Pharmaceutical
Chemistry, Bhaskar Pharmacy College, Yenkapally, Moinabad, Rangareddy, Telangana,
2Department of Pharmaceutical Chemistry, College of Pharmaceutical
Sciences, Andhra University, Vishakapatnam, Andhra
Pradesh, 3Department of Biotechnology, JNTUA, Ananthapuram, Andhra Pradesh, India.
ABSTRACT
Beda
PD, Vedula SG, Daddam JR.,
Anti-tubercularl activity and molecular docking of dihydro-pyrimidinone derivatives, Onl
J Bioinform., 16 (2):
202-225, 2015. Various Biginelli compounds (dihydropyrimidinones)
were synthesized in high yields under mild, solvent free conditions in a single
reaction of 1, 3-dicarbonyl compounds, aldehydes and urea/thiourea
with sodium dodecyl sulphate (SDS) as a catalyst. The products were identified
by spectral IR, 1HNMR and Mass data and melting point. Dihydropyrimidinones
(DHPM) derivatives were evaluated for their in vitro antimycobacterial
activity against H37Rv strain using the Alamar
blue dye method. Molecular docking GOLD software with the crystal structure
of thymidylate kinase (1G3U) was used to evaluate binding mode interaction with
an active site.
One compound (IV-3), showed antitubercular
activity of MIC 6.25µg/mL possibly due to an electron withdrawing chlorine
group at C-4 phenyl in dihydropyrimidine ring.
These studies suggest that DHPM’s scaffold could be utilized for design of antitubercular agents
Keywords: Dihydropyrimidine,
Antimycobacterial, Thymidylate kinase and Docking studies.
FULL-TEXT(SUBSCRIPTION
OR PURCHASE TITLE $25USD)