Neha Chauhan
Publications by Neha Chauhan
2 publications found • Active 2026-2026
2026
2 publicationsNetwork pharmacology and molecular docking to elucidate the potential mechanism of Fernandoa adenophylla against oxidative stress-mediated nephroprotection
Oxidative stress is a central pathomechanism in chronic kidney disease (CKD), yet the nephroprotective potential of Fernandoa adenophylla (Bignoniaceae), a medicinally important tree of South and Southeast Asia, remains mechanistically uncharacterised. This study employed an integrated network pharmacology and molecular docking strategy to systematically elucidate the multi-target mechanism of F. adenophylla against oxidative stress-mediated renal injury. Thirteen phytochemical constituents were retrieved from curated databases and subjected to ADME screening via SwissADME; eight compounds including lapachol, α-lapachone, adenophyllone, peshwaraquinone, ursolic acid, and oleanolic acid met Lipinski’s Rule-of-Five criteria and were retained. Protein targets for these compounds were predicted via SwissTargetPrediction and intersected with 287 oxidative stress nephroprotection disease targets retrieved from GeneCards, OMIM, DisGeNET, and TTD, yielding 53 shared candidate targets. A tripartite Compound–Target–Disease network constructed in Cytoscape identified AKT1, TP53, NFE2L2 (NRF2), KEAP1, CASP3, and MAPK1 as principal hub targets. STRING-based protein–protein interaction analysis and CytoHubba MCC ranking corroborated these hubs, while GO and KEGG enrichment mapped the target set to the PI3K/AKT, apoptosis, NF-κB, and HIF-1α signalling pathways. Molecular docking with AutoDock Vina revealed that adenophyllone exhibited the highest binding affinity for KEAP1 (−8.9 kcal/mol) and lapachol for AKT1 (−8.2 kcal/mol). These interactions were further validated by 100 ns GROMACS molecular dynamics simulations demonstrating stable RMSD profiles, sustained hydrogen-bond occupancy, and favourable MM-PBSA binding free energies. Collectively, these results indicate that F. adenophylla likely exerts nephroprotection through coordinated modulation of the KEAP1/NRF2 antioxidant axis, the AKT1/TP53/CASP3 survival–apoptosis axis, and the MAPK1/TNF inflammatory–oxidative crosstalk axis, providing a rational computational foundation for in-vitro and in-vivo experimental validation.
Peptic Ulcer Disease: Mechanisms of Pathogenesis and Insights into Herbal versus Synthetic Treatments
Peptic ulcer disease remains a pressing health issue worldwide, most often linked to Helicobacter pylori infection and long-term use of non-steroidal anti-inflammatory drugs (NSAIDs). While conventional therapies such as proton pump inhibitors (PPIs), histamine-2 receptor antagonists (H2RAs), cytoprotective agents, and antibiotics have transformed patient care by reducing acid secretion and eradicating infection, they are not without drawbacks. Rising antibiotic resistance, drug-related side effects, and recurrence of ulcers continue to challenge clinicians and patients alike. In recent years, herbal medicine has gained attention as a complementary or alternative approach. Plant-derived compounds rich in flavonoids, tannins, alkaloids, and terpenoids offer anti-inflammatory, antioxidant, and antisecretory effects, while also strengthening the stomach’s natural defenses. Traditional remedies such as Anogeissus latifolia, Alchornea castaneaefolia, Decalepis salicifolia, Solanum nigrum, Ocimum tenuiflorum, Asparagus racemosus, and Curcuma longa have shown promising results in experimental models, not only reducing ulcer formation but also accelerating healing. This review brings together evidence on both synthetic and herbal strategies, comparing their mechanisms, effectiveness, safety, and cost considerations. While PPIs and antibiotic regimens remain indispensable for H. pylori eradication and NSAID-induced ulcer prevention, herbal therapeutics stand out for their lower side-effect profile and potential to provide long-term mucosal protection. Looking ahead, integrated treatment approaches that combine modern pharmacology with traditional phytomedicine may offer the most balanced and sustainable path for managing peptic ulcer disease.
