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The I Research : Journal of Pharmaceutical Chemistry provides a resource content about the research activities carried out in the development of New Drug candidates, Polymers, etc. This journal aims to publish all the recent research and reviews articles related to pharmaceutical chemistry which includes the Drug discovery process, Docking studies, High throughput Screening methods, Synthetic chemistry, Analytical chemistry etc.. It is the international journal of published Bi-Annual by I Research Academia . Authors should consult the latest instructions to authors before preparing their manuscripts. All contributions must be in English and should be submitted online only in a single word file.

Open AccessResearch Article
Peer Reviewed

In Silico Docking and In Vitro Antiurolithiatic Activity of Hydroalcoholic Extract of Corallocarpus epigaeus Rhizome

ByD. Sevvanthi,Yamina Jesrin. U*,Arunthathi. A,Bhavani. A,Kalpana. M
Keywords:
Corallocarpus epigaeusUrolithiasisGC-MS analysisMolecular dockingAKT1Calcium oxalateAntiurolithiatic activity

Abstract

Original research summary & clinical findings

Corallocarpus epigaeus (Rottler) C.B. Clarke (Cucurbitaceae) is a traditionally used medicinal plant whose tuberous rhizome has long been applied for inflammatory, hepatic and urinary complaints. The present study evaluated the phytochemical composition and antiurolithiatic potential of a hydroalcoholic extract of C. epigaeus rhizome (HAECER) through preliminary phytochemical screening, GC-MS profiling, in silico molecular docking and an in vitro calcium oxalate dissolution assay. Preliminary screening revealed the presence of alkaloids, flavonoids, sterols, carbohydrates, proteins, amino acids, gum and mucilage, terpenoids, saponins and phenolic compounds. GC-MS analysis identified γ-sitosterol, α-tocopherol, hexadecanoic acid methyl ester (methyl palmitate) and 2,4-di-tert-butylphenol as the major bioactive constituents. Molecular docking of these four compounds against AKT1 protein showed favourable predicted binding affinities, with γ-sitosterol showing the strongest interaction (−10.991 kcal/mol), followed by α-tocopherol (−9.529 kcal/mol), 2,4-di-tert-butylphenol (−7.135 kcal/mol) and hexadecanoic acid methyl ester (−6.048 kcal/mol). The in vitro calcium oxalate dissolution assay demonstrated a concentration-dependent antiurolithiatic effect, with percentage inhibition rising from 16.47% at 10 mg/mL to 57.65% at 50 mg/mL and an IC₅₀ of approximately 44.09 mg/mL. Taken together, these phytochemical, computational and experimental findings provide preliminary evidence supporting the antiurolithiatic potential of Corallocarpus epigaeus rhizome extract, warranting further in vivo and mechanistic investigation.