Efficient one-pot synthesis, molecular docking and in silico ADME prediction of bis-(4-hydroxycoumarin-3-yl) methane derivatives as antileishmanial agents

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dc.contributor.authorZaheer, Zahid
dc.contributor.authorKhan, Firoz A. Kalam
dc.contributor.authorSangshetti, Jaiprakash N.
dc.contributor.authorPatil, Rajendra H.
dc.date.accessioned2016-06-06T10:46:22Z
dc.date.available2016-06-06T10:46:22Z
dc.date.issued2015-08-10
dc.description.abstractBis-(4-hydroxycoumarin-3-yl) methane derivatives 3(a-l) were synthesized from 4-hydroxycoumarin and substituted aromatic aldehydes using succinimide-N-sulfonic acid as catalyst and evaluated for their in vitro antileishmanial activity against promastigotes form of Leishmania donovani. Compounds 3a (IC50= 155 μg/mL), 3g (IC50= 157.5 μg/mL) and 3l (IC50= 150 μg/mL) were shown significant antileishmanial activity when compared with standard sodium stibogluconate (IC50= 490 μg/mL). Also, synthesized compounds 3(a-l) did not show cytotoxicity against HeLa cell line upto tested concentrations. Further, molecular docking study against Adenine phosphoribosyltransferase of Leishmania donovani showed good binding interactions. ADME properties were analyzed and showed good oral drug candidate like properties. The synthesized compounds were also shown good drug likeness and drug score values when compared with drugs currently used in therapy. The present study has helped us in identifying a new lead that could be exploited as a potential antileishmanial agent.en
dc.identifier.doi10.17179/excli2015-244
dc.identifier.issn1611-2156
dc.identifier.urihttp://hdl.handle.net/2003/35039
dc.identifier.urihttp://dx.doi.org/10.17877/DE290R-17087
dc.language.isoen
dc.relation.ispartofseriesEXCLI Journal;Vol. 14, 2015en
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/
dc.subjectantileishmanial activityen
dc.subjectLeishmania donovani promastigotesen
dc.subjectmolecular docking studyen
dc.subjectADME propertiesen
dc.subjectdrug likenessen
dc.subjectdrug scoreen
dc.subject.ddc610
dc.titleEfficient one-pot synthesis, molecular docking and in silico ADME prediction of bis-(4-hydroxycoumarin-3-yl) methane derivatives as antileishmanial agentsen
dc.typeText
dc.type.publicationtypearticle
dcterms.accessRightsopen access
eldorado.dnb.zdberstkatid2132560-1

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