ABSTRACT
BACKGROUND: Shyonaka (Oroxylum indicum Vent) is widely used in Ayurveda and in ethnomedical practice for the treatment of inflammation, pain, diarrhea, non-healing ulcers, and cancer. Owing to the high prevalence of Epstein-Barr virus (EBV) infection in Nasopharyngeal carcinoma (NPC) patients, simultaneous targeting of proteins involved in both EBV replication and NPC proliferation might help to manage the disease effectively. OBJECTIVES: This study is designed to identify potential dual targeting inhibitors from Oroxylum indicum having the potential to inhibit both EBV and NPC. This study also attempted quantitative analysis of Shyonaka Bark Decoction (SBD) to confirm the presence of Baicalein and Chrysin which are predominant marker compounds of Shyonaka. METHODOLOGY: The HPLC analysis of stem bark and root bark of Oroxylum indicum was done to estimate the presence of marker compounds Baicalein and Chrysalin. The in-silico analysis included ADMET analysis followed by molecular docking of known compounds from Oroxylum indicum (retrieved from IMPPAT database) onto the target proteins of EBV (BHRF1, NEC1, dUTPase, Uracil DNA glycosylase) and NPC (COX-2, EGFR, and MDM2) using DOCK6 tool. Further validations were done using the molecular dynamics simulations of top screened molecules onto the selected target proteins using AMBER20 package and their corresponding MMGBSA binding free-energy values were calculated. RESULTS: The molecular docking revealed that the key molecules from the plant, scutellarein 7-rutinoside (S7R), scutellarin (SCU) and 6-hydroxyluteolin, Baicalein and 5,7-Dihydroxy-2-phenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one (57D) are effectively intervening with the target proteins of EBV, one of the key causative factors of NPC and the NPC specific targets which have the potential to reduce tumor size and other consequences of NPC. The molecular dynamics simulations of S7R, Baicalein and 57D, Baicalein with MDM-2 protein and dUTPase protein, respectively, showed stable interactions between them which were further assessed by the binding energy calculations. CONCLUSION: Overall, the in-silico evaluation of these phytochemicals with target proteins indicates their potential to inhibit both EBV and NPC which needs further in-vitro and in-vivo validations.
ABSTRACT
Bibliometric analysis is a standard method for evaluating the quality and quantity of published articles. AYUSH research portal (ARP) is meant for the dissemination of research findings in the domains of Ayurveda, Yoga and Naturopathy, Unani, Siddha, Sowa-rigpa, and Homoeopathy and allied faculties. The study attempts to understand the trend of published Ayurveda clinical trial-based articles in terms of quality and quantity. Three perspectives of research output assessed in this study are productivity in the field of Ayurveda, evidence from articles, and its involvement with the body system where disease or malfunctions are induced. Based on the study, it is observed that the highest number of articles have been published under the musculoskeletal, endocrine/metabolic/nutritional categories, and skin. Further, it is observed that only 4.50% of articles are categorized under the evidence of Grade "A" (randomized controlled trials [RCTs]) as per the World Health Organization's traditional medicine research guidelines. Out of the top 20 journals which publish Ayurveda-based research works, only five journals are indexed in reputed indexing platforms viz., PubMed and Scopus. The findings indicate that, Ayurveda clinical trials have to be planned meticulously and carried out as per the RCT guidelines for producing quality evidence so that the abysmal percentage of grade-A category articles will increase in ARP. Further, the journals, which are not yet indexed in standard indexing platforms, must strive to secure a place in them to ensure access to appropriate peers and effective dissemination of findings.
