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In vitro and in silico biological studies of novel thiazolo3,2-a]pyrimidine-6-carboxylate derivatives

Umesha, Kundapura and Sarojini, Balladka K and Raj, Chenna Darshan G and Bhanuprakash, V and Yogisharadhya, R and Raghavendra, R and Khan, Mahmud TH (2014) In vitro and in silico biological studies of novel thiazolo3,2-a]pyrimidine-6-carboxylate derivatives. In: MEDICINAL CHEMISTRY RESEARCH, 23 (1). pp. 168-180.

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Official URL: http://dx.doi.org/DOI 10.1007/s00044-013-0606-4


In the present study, we report the synthesis, characterization of new series of thiazolo3,2-a]pyrimidine-6-carboxylate derivatives 3a-f and 4a-f. The newly synthesized compounds were screened for in vitro antimicrobial and antiviral activities. The probable mode of action of these active compounds was determined through in silico docking study by docking the receptor methionyl-tRNA synthetase and human inosine-5'-monophosphate dehydrogenase (IMPDH) for antibacterial and antiviral activities, respectively. Among the compounds, 4c exhibited excellent in vitro antimicrobial activity against all tested strains with binding and docking energies -35.6 and -12.4 kcal/mol, respectively. The antiviral studies were carried out for the selected compounds in which 4a exhibited 73.69 and 54.42 % of inhibition of buffalopox and camelpox viruses, respectively. Furthermore, compound 4a showed minimum docking and binding energy along with the maximum hydrogen/hydrophobic interaction with IMPDH. The study contributes towards identification and screening of potential antimicrobial and antiviral agent's against the pathogens.

Item Type: Journal Article
Additional Information: Copyright for this article belongs to the SPRINGER BIRKHAUSER, USA
Keywords: Thiazolo3,2-a]pyrimidine-6-carboxylate; In vitro antimicrobial activity; In vitro antiviral activity; In silico docking studies
Department/Centre: Division of Biological Sciences > Microbiology & Cell Biology
Date Deposited: 13 Feb 2014 09:58
Last Modified: 13 Feb 2014 09:59
URI: http://eprints.iisc.ac.in/id/eprint/48371

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