Molecular Docking and in Vitro Antileishmanial Evaluation of Chromene-2-thione Analogues
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- 作者：Rajiv Kumar Verma ; Vijay Kumar Prajapati ; Girijesh Kumar Verma ; Deblina Chakraborty ; Shyam Sundar ; Madhukar Rai ; Vikash Kumar Dubey ; Maya Shankar Singh
- 刊名：ACS Medicinal Chemistry Letters
- 出版年：2012
- 出版时间：March 8, 2012
- 年：2012
- 卷：3
- 期：3
- 页码：243-247
- 全文大小：281K
- 年卷期：v.3,no.3(March 8, 2012)
- ISSN：1948-5875
文摘
Leishmaniases are an epidemic in various countries, and the parasite is developing resistance against available drugs. Thus, development of new drugs against Leishmania is an open area of investigation for synthetic organic chemists. To meet this challenge, a series of chromene-2-thione derivatives have been synthesized and docked into the active site of trypanothione reductase (TryR) enzyme required for redox balance of the parasite. These were screened on promastigote, axenic amastigote, and intracellular amastigote stages of Leishmania donovani and found to show high levels of antileishmanial activity together with minimal toxicity to human peripheral blood mononuclear cells. Compounds 3b and 3k were found to be the most active among the tested compounds. Although the compounds show moderate antileishmanial activity, they identify a chemical space to design and develop drugs based on these chromene-2-thione derivatives against the Leishmania parasite.