ABSTRACT
The corona virus (CoV) family's emerging SARS-CoV-2 strain potentially causes one of the most catastrophic COVID-19 pandemics in mankind. Other than vaccines for preventing SARS-CoV-2 infection, no selective drugs are available to treat the disease caused by the SARS-CoV-2. The main protease (Mpro) of SARS-CoV-2 plays a critical role in viral replication, and inhibiting the protease can hamper the virus's replication and infection process. Thus, we aimed to identify SARS-CoV-2 main protease (Mpro) inhibitors from Euphorbia neriifolia. Primarily, a total of 31 compounds were selected through wide literature study and the Indian Medicinal Plants, Phytochemistry and Therapeutics (IMPPAT) server. Current advances in computer-aided drug discovery includes molecular docking, pharmacokinetics, drug properties, toxicity analysis and molecular dynamic (MD) simulation were applied in characterization and identification of possible lead compounds in E. neriifolia. The compound's screening through molecular docking resulted in four phytochemicals, viz., CID: 5316673, CID: 102316539, CID: 101257, and CID: 9547213 exhibiting higher binding affinity of-8.461,-7.355,-6.404, and-6.382 kcal/mol, respectively, to the active site of the target Mpro. Subsequently, these four phytochemicals exhibited good pharmacokinetics and drug properties without toxicity. A MD simulation confirmed the binding stability of four phytochemicals to the Mpro. Our study identified four phytochemicals (CID: 5316673, CID: 102316539, CID: 101257, and CID: 9547213) can be developed as treatment option for SARS-CoV-2 disease related complications. Further in vitro and in vivo screening of the anti-SARS-CoV-2 effectiveness of E. neriifolia, as well as future clinical studies, are encouraged. © 2023 Marmara University Press.
ABSTRACT
Medicinal plants have considerable potential as antimicrobial agents due to the presence of secondary metabolites. This comprehensive overview aims to summarize the classification, morphology, and ethnobotanical uses of Euphorbia neriifolia L. and its derived phytochemicals with the recent updates on the pharmacological properties against emerging infectious diseases, mainly focusing on bacterial, viral, fungal, and parasitic infections. The data were collected from electronic databases, including Google Scholar, PubMed, Semantic Scholar, ScienceDirect, and SpringerLink by utilizing several keywords like 'Euphorbia neriifolia', 'phytoconstituents', 'traditional uses', 'ethnopharmacological uses', 'infectious diseases', 'molecular mechanisms', 'COVID-19', 'bacterial infection', 'viral infection', etc. The results related to the antimicrobial actions of these plant extracts and their derived phytochemicals were carefully reviewed and summarized. Euphol, monohydroxy triterpene, nerifoliol, taraxerol, ß-amyrin, glut-5-(10)-en-1-one, neriifolione, and cycloartenol are the leading secondary metabolites reported in phytochemical investigations. These chemicals have been shown to possess a wide spectrum of biological functions. Different extracts of E. neriifolia exerted antimicrobial activities against various pathogens to different extents. Moreover, major phytoconstituents present in this plant, such as quercetin, rutin, friedelin, taraxerol, epitaraxerol, taraxeryl acetate, 3ß-friedelanol, 3ß-acetoxy friedelane, 3ß-simiarenol, afzelin, 24-methylene cycloarenol, ingenol triacetate, and ß-amyrin, showed significant antimicrobial activities against various pathogens that are responsible for emerging infectious diseases. This plant and the phytoconstituents, such as flavonoids, monoterpenoids, diterpenoids, triterpenoids, and alkaloids, have been found to have significant antimicrobial properties. The current evidence suggests that they might be used as leads in the development of more effective drugs to treat emerging infectious diseases, including the 2019 coronavirus disease (COVID-19).
Subject(s)
COVID-19 Drug Treatment , Communicable Diseases, Emerging , Euphorbia , Communicable Diseases, Emerging/drug therapy , Ethnobotany , Ethnopharmacology , Humans , Phytochemicals/pharmacology , Phytochemicals/therapeutic use , Phytotherapy , Plant Extracts/pharmacologyABSTRACT
Coronavirus disease 2019 (COVID-19) continues to devastate the world's health and economy, affecting all aspects of life leading to widespread social disruption. Even as several vaccines have been developed, their availability in developing countries is limited and their efficacy against the variants of SARS-CoV-2 (severe acute respiratory syndrome-coronavirus 2) needs to be continuously assessed. The World Health Organization (WHO) has acknowledged that vaccines alone will not overcome the global challenges of COVID-19. Medicinal plants may provide the needed support. Herein, we identify Philippine medicinal plants that possess phytochemicals with potential anti-SARS-CoV-2 activity and/or immunomodulatory properties that may strengthen one's immune system against COVID-19. These plants were selected from 100 of the best-studied Philippine medicinal plants with antiviral and immunomodulatory properties. The general antiviral and specific anti-SARS-CoV-2 activities and immunomodulatory properties of the phytochemicals that these plants contained were searched. While many compounds assessed individually using in vitro and in silico techniques suggest potential anti-SARS-CoV-2 or immunomodulatory effects, this review sought to identify the medicinal plants which contain these compounds and which, based on literature, have the best potential application against COVID-19. These plants are Allium spp. bulbs (bawang), Andrographis paniculata (Burm.f.) Nees leaves (sinta), Cocos nucifera L. oil (niyog), Euphorbia hirta L. leaves (tawa-tawa), Euphorbia neriifolia L. leaves (sorosoro), Moringa oleifera Lam. leaves (malunggay), Ocimum basilicum L. leaves (balanoy), Piper nigrum L. seeds (paminta), Vitex negundo L. leaves (lagundi), and Zingiber officinale Roscoe rhizome (luya). This review provides a shortlist that can guide research on possible solutions to COVID-19 using Philippine medicinal plants.