- A novel series of [1,2,4]triazolo[4,3-a]pyridine sulfonamides as potential antimalarial agents: In silico studies, synthesis and in vitro evaluation
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For the development of new and potent antimalarial drugs, we designed the virtual library with three points of randomization of novel [1,2,4]triazolo[4,3-a]pyridines bearing a sulfonamide fragment. The library of 1561 compounds has been investigated by both virtual screening and molecular docking methods using falcipain-2 as a target enzyme. 25 chosen hits were synthesized and evaluated for their antimalarial activity in vitro against Plasmodium falciparum. 3-Ethyl-N-(3-fluorobenzyl)-N-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide and 2-(3-chlorobenzyl)-8-(piperidin-1-ylsulfonyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one showed in vitro good antimalarial activity with inhibitory concentration IC50 = 2.24 and 4.98 μM, respectively. This new series of compounds may serve as a starting point for future antimalarial drug discovery programs.
- Karpina, Veronika R.,Kovalenko, Svitlana S.,Kovalenko, Sergiy M.,Drushlyak, Oleksandr G.,Bunyatyan, Natalya D.,Georgiyants, Victoriya A.,Ivanov, Vladimir V.,Langer, Thierry,Maes, Louis
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- Compounds for the Treatment of Hepatitis C
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The invention encompasses compounds of formula I as well as compositions and methods of using the compounds. The compounds have activity against hepatitis C virus (HCV) and are useful in treating those infected with HCV.
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(2009/03/07)
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