In vitro Antileishmanial and Molecular Docking Studies of a Sesquiterpene Lactone from Cirsium dender Friis (Asteraceae)
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Date
2023-10
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Addis Ababa University
Abstract
Leishmaniasis caused by genus of Leishmania has impact on the Africa and Asian
countries due to high prevalence, resistance to current therapy and unavailability of
standard medicine for the treatment. Asteraceae plants (a family widely used in folk
medicine worldwide) are emerging as an interesting source for new leishmanicidal
compounds and this study was aims to extract and isolate active metabolite from the root
of Cirsium dender Friis (Asteraceae) to study molecular docking and to investigate in
vitro antileishmanial activity against promastigote and amastigote forms of L. aethopica
and L. donovani. Air dried roots of the plant was macerated with 80% methanol which
resulted in 9.98% brown methanol extract. Phytochemical analysis was investigated by
using thin layer and preparative chromatography which result in isolation of a white
crystalline compound named AS01. Characterization of AS01 on the basis of APCI-MS,
13CNMR and 1HNMR spectral assignments and by comparing with reported data of the
compound the AS01 was identified as dehydrocostus lactone. Antileishmanial activity of
the extract and dehydrocostus lactone was studied on clinical isolates of L. aethopica and
L. donovani and the IC50 of the dehydrocostus lactone was 24.33μ/mL, 12.35 μ/mL
against promastigote and 12.54 μ/mL, 3.29 μ/mL against amastigote of L. aethopica and
L. donovani respectively. The compound dehydrocostus lactone and the crystalline
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structure of pteridine reductase1 (PDB ID: 2XOX) extracted from L.donovani, which is a
potential target for drug development against Leishmania, underwent a molecular
docking study using the autodock vina and Pymol visualization tools. The result of the
study discloses that the compound dehydrocostus lactone has antileishmanial activity and
it has binding affinity to docking site of pteridine reductase1 enzyme.
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Keywords
Anti-leishmanial, Cirsium dender Friis, Dehydrocostus lactone, Leishmania aethopica and Leishmania donovani