Sashidhara K.V.,BS 10 1 |
Avula S.R.,BS 10 1 |
Doharey P.K.,BS 10 1 |
Singh L.R.,BS 10 1 |
And 7 more authors.
European Journal of Medicinal Chemistry | Year: 2015
In our continuing search for safe and efficacious antifilarials, a series of novel chalcone-benzothiazole hybrids have been synthesized and evaluated for their Brugia malayi thymidylate kinase (BmTMK) enzyme inhibition activity. Their selectivity towards BmTMK was studied and compared to the human TMK (HsTMK) by an in silico method. Out of seventeen derivatives, compounds 34 and 42 showed higher interactions with the BmTMK active site. MolDock docking model revealed the interactions of these two derivatives and the results corroborated well with their in vitro antifilarial activities. Our studies suggest that these hybrids are selective towards the BmTMK enzyme and may serve as potential therapeutic agents against filariasis. © 2015 Elsevier Masson SAS. All rights reserved.
Batchu H.,BS 10 1 |
Bhattacharyya S.,BS 10 1 |
Kant R.,CSIR - Central Electrochemical Research Institute |
Batra S.,BS 10 1 |
Batra S.,Academy of Scientific and Innovative Research
Journal of Organic Chemistry | Year: 2015
A palladium-catalyzed pyrazole-directed regioselective oxidative C(sp2)-H functionalization of the N-phenyl ring in N-phenylpyrazoles to afford either a biaryl bis-pyrazole (via dehydrogenative homocoupling) or N-(o-hydroxyphenyl)pyrazole (via C-H oxygenation) or their mixture is described. The substitutions on the N-phenyl ring and the pyrazole ring and the dilution of the reaction medium with respect to the TFA/TFAA mixture (substrate concentration) have a remarkable influence on the outcome of the reaction. It was discovered that if the reactions were performed under highly dilute conditions (ca. 10 times) then N-(o-hydroxyphenyl)pyrazoles were the major or the sole products. © 2015 American Chemical Society.