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Title
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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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Author
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Abstract
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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. |
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Language
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English
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Source (journal)
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Molecules: a journal of synthetic chemistry and natural product chemistry. - Bazel
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Publication
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Bazel
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2020
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ISSN
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1420-3049
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DOI
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10.3390/MOLECULES25194485
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Volume/pages
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25
:19
(2020)
, 33 p.
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Article Reference
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4485
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ISI
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000586560900001
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Pubmed ID
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33007887
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Medium
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E-only publicatie
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Full text (Publisher's DOI)
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Full text (open access)
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