Exploring the Therapeutic Potential of Ammodaucus leucotrichus Seed Extracts: A Multi-Faceted Analysis of Phytochemical Composition, Anti-Inflammatory Efficacy, Predictive Anti-Arthritic Properties, and Molecular Docking Insights

Abstract

Ammodaucus leucotrichus exhibits promising pharmacological activity, hinting at anti-inflammatory and anti-arthritic effects. This study investigated seed extracts from Ammodaucus leucotrichus using methanol and n-hexane, focusing on anti-inflammatory and anti-arthritic properties. The methanol extract outperformed the n-hexane extract and diclofenac, a reference anti-inflammatory drug, in trypsin inhibition (85% vs. 30% and 64.67% at 125 μg/mL). For trypsin inhibition, the IC50 values were 82.97 μg/mL (methanol), 202.70 μg/mL (n-hexane), and 97.04 μg/mL (diclofenac). Additionally, the n-hexane extract surpassed the methanol extract and diclofenac in BSA (bovine serum albumin) denaturation inhibition (90.4% vs. 22.0% and 51.4% at 62.5 μg/mL). The BSA denaturation IC50 values were 14.30 μg/mL (n-hexane), 5408 μg/mL (methanol), and 42.30 μg/mL (diclofenac). Gas chromatography–mass spectrometry (GC–MS) revealed 59 and 58 secondary metabolites in the methanol and n-hexane extracts, respectively. The higher therapeutic activity of the methanol extract was attributed to hydroxyacetic acid hydrazide, absent in the n-hexane extract. In silico docking studies identified 28 compounds with negative binding energies, indicating potential trypsin inhibition. The 2-hydroxyacetohydrazide displayed superior inhibitory effects compared to diclofenac. Further mechanistic studies are crucial to validate 2-hydroxyacetohydrazide as a potential drug candidate for rheumatoid arthritis treatment.

Technology Readiness Level Roadmap for Developing Innovative Herbal Medicinal Products

“…At TRL-4 , the focus is on optimizing extractive conditions at a bench scale to maximize active components while minimizing inert or potentially toxic ones [ 66 , 67 ]. This includes testing various equipment, solvents, techniques, and drying methods [ 68 , 69 , 70 ]. The extracts undergo evaluation through a series of biological assays to confirm their pharmacological activity [ 69 , 71 ].…”

“…This includes testing various equipment, solvents, techniques, and drying methods [ 68 , 69 , 70 ]. The extracts undergo evaluation through a series of biological assays to confirm their pharmacological activity [ 69 , 71 ]. TRL-4 is considered complete only when the chemical profile of the herbal preparation (HP) candidate is optimized at the bench scale through bio-guided studies.…”

“…Whenever structural information is available, fast and low-cost in silico tests are also recommended. Its relevance grows as quantitative structure–activity relationship (QSAR) modeling and chemical databases improve [ 69 , 103 ]. Also, some tests integrating responses of various compounds in mixtures are under development [ 104 , 105 , 106 ].…”