Polygonum hydropiper L decoctions are traditionally used in the treatment of various ailments including inflammation, dyspepsia, diarrhea, menorrhagia, hemorrhoids, helminthiasis and CNS disorders. Present study was undertaken to investigate P. hydropiper L. for heavy metals content, phytoconstituents, Phytotoxic and anthelmintic activities to explore its toxicological and pharmacological potentials and rationalize its ethnomedicinal uses.

This study aimed to appraise the anti-leishmanial potentials of benzoic acid derivatives, including methyl 3,4-dihydroxybenzoate (compound 1) and octadecyl benzoate (compound 2), isolated from the ethnomedicinally important plant Ifloga spicata (I. spicata). Chemical structures were elucidated via FT-IR, mass spectrometry, and multinuclear (¹H and ¹³C) NMR spectroscopy. Anti-leishmanial potentials of the compounds were assessed using Leishmania tropica promastigotes. Moreover, acridine orange fluorescent staining was performed to visualize the apoptosis-associated changes in promastigotes under a fluorescent microscope. A SYTOX assay was used to check rupturing of Leishmania promastigote cell membranes using 0.1% Triton X-100 as positive control. A DNA interaction assay was carried out to assess DNA attachment potential. AutoDock software was used to check the binding affinity of compounds with surface enzyme leishmanolysin gp63 (1LML). Both compounds exhibited considerable anti-leishmanial potential, with LD₅₀ values of 10.40 ± 0.09 and 14.11 ± 0.11 μg/mL for compound 1 and compound 2, respectively. Both compounds showed higher binding affinity with the leishmanolysin (gp63) receptor/protease of Leishmania, as assessed using computational analysis. The binding scores of compounds 1 and 2 with target gp63 were −5.3 and −5.6, respectively. The attachment of compounds with this receptor resulted in their entry into the cell where they bound with Leishmania DNA, causing apoptosis. The results confirmed that the investigated compounds have anti-leishmanial potential and are potential substitutes as natural anti-leishmanial agents against L. tropica.

Background: Leishmaniasis remains a neglected tropical disease with high global disease burden and limited safe therapeutic options. Medicinal plants offer an important source of bioactive compounds for drug development. Objective: This study aimed to isolate and characterize bioactive compounds from Asparagus gracilis and evaluate their antileishmanial potential using both in vitro and in silico approaches. Methods: The plant was shade-dried, extracted with methanol, and fractionated using solvents of increasing polarity. Bioactive fractions were subjected to column chromatography, and compounds were characterized by proton nuclear magnetic resonance (^1H-NMR). Antileishmanial activity was assessed against Leishmania tropica promastigotes using the MTT assay. Molecular docking was performed against leishmanolysin GP63 (PDB: 1LML) using MOE software. Results: The ethyl acetate fraction displayed the highest antileishmanial activity with an IC₅₀ value of 13.5 µg/mL. Ferulic acid was isolated at 4% ethyl acetate–n-hexane solvent system and identified as the major bioactive compound. The compound exhibited dose-dependent inhibition of L. tropica promastigotes with an IC₅₀ of 11.1 µg/mL. Docking studies revealed strong binding affinity with GP63, showing four hydrogen bonds and a binding energy of −5.9 kcal/mol. Conclusion: The results suggest that ferulic acid from A. gracilis exhibits promising antileishmanial activity. This compound can serve as a potential lead for the development of new antileishmanial agents.