{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2024,9,9]],"date-time":"2024-09-09T13:49:21Z","timestamp":1725889761587},"reference-count":57,"publisher":"Bentham Science Publishers Ltd.","issue":"4","content-domain":{"domain":["eurekaselect.com"],"crossmark-restriction":true},"short-container-title":["BIOT"],"published-print":{"date-parts":[[2024,12]]},"abstract":"<jats:sec>\n<jats:title>Background:<\/jats:title>\n<jats:p>Since the COVID-19 outbreak in early 2020, researchers and\nstudies are continuing to find drugs and\/or vaccines against the disease. As shown before,\nmedicinal plants can be very good sources against viruses because of their secondary\ncompounds which may cure diseases and help in survival of patients. There is a growing\ntrend in the filed patents in this field.<\/jats:p>\n<\/jats:sec>\n<jats:sec>\n<jats:title>Aims:<\/jats:title>\n<jats:p>In the present study, we test and suggest the inhibitory potential of five herbal based extracts including 7\u03b1-acetoxyroyleanone, Curzerene, Incensole, Harmaline, and\nCannabidiol with antivirus activity on the models of the significant antiviral targets for\nCOVID-19 like spike glycoprotein, Papain-like protease (PLpro), non-structural protein\n15 (NSP15), RNA-dependent RNA polymerase and core protease by molecular docking study.<\/jats:p>\n<\/jats:sec>\n<jats:sec>\n<jats:title>Methods:<\/jats:title>\n<jats:p>The Salvia rythida root was extracted, dried, and pulverized by a milling machine.\nThe aqueous phase and the dichloromethane phase of the root extractive were separated\nby two-phase extraction using a separatory funnel. The separation was performed using\nthe column chromatography method. The model of the important antivirus drug target of\nCOVID-19 was obtained from the Protein Data Bank (PDB) and modified. TO study the\nbinding difference between the studied molecules, the docking study was performed.<\/jats:p>\n<\/jats:sec>\n<jats:sec>\n<jats:title>Result:<\/jats:title>\n<jats:p>These herbal compounds are extracted from Salvia rhytidea, Curcuma zeodaria,\nFrankincense, Peganum harmala, and Cannabis herbs, respectively. The binding energies\nof all compounds on COVID-19 main targets are located in the limited area of 2.22-5.30\nkcal\/mol. This range of binding energies can support our hypothesis for the presence of\nthe inhibitory effects of the secondary metabolites of mentioned structures on COVID-19.\nGenerally, among the investigated herbal structures, Cannabidiol and 7\u03b1-\nacetoxyroyleanone compounds with the highest binding energy have the most inhibitory\npotential. The least inhibitory effects are related to the Curzerene and Incensole structures\nby the lowest binding affinity.<\/jats:p>\n<\/jats:sec>\n<jats:sec>\n<jats:title>Conclusion:<\/jats:title>\n<jats:p>The general arrangement of the basis of the potential barrier of binding energies\nis in the order below: Cannabidiol &gt; 7\u03b1-acetoxyroyleanone &gt; Harmaline&gt; Incensole\n&gt; Curzerene. Finally, the range of docking scores for investigated herbal compounds\non the mentioned targets indicates that the probably inhibitory effects on these targets\nobey the following order: main protease&gt; RNA-dependent RNA polymerase&gt; PLpro&gt;\nNSP15&gt; spike glycoprotein.<\/jats:p>\n<\/jats:sec>","DOI":"10.2174\/0118722083246773231108045238","type":"journal-article","created":{"date-parts":[[2023,11,28]],"date-time":"2023-11-28T05:54:22Z","timestamp":1701150862000},"page":"316-331","update-policy":"http:\/\/dx.doi.org\/10.2174\/bsp_crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["The Inhibitory Effects of the Herbals Secondary Metabolites\n(7\u03b1-acetoxyroyleanone, Curzerene, Incensole, Harmaline, and\nCannabidiol) on COVID-19: A Molecular Docking Study"],"prefix":"10.2174","volume":"18","author":[{"given":"Farshid","family":"Zargari","sequence":"first","affiliation":[{"name":"Department of Chemistry, Faculty of Science, University of Sistan and Baluchestan (USB), P.O.Box 98135-\n674, Zahedan, Iran"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mehdi","family":"Mohammadi","sequence":"additional","affiliation":[{"name":"Pharmaceutical Sciences Research Center, Shiraz University of Medical Sciences, Box\n71468-64685, Shiraz, Iran"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Alireza","family":"Nowroozi","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Faculty of Science, University of Sistan and Baluchestan (USB), P.O.Box 98135-\n674, Zahedan, Iran"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mohammad Hossein","family":"Morowvat","sequence":"additional","affiliation":[{"name":"Pharmaceutical Sciences Research Center, Shiraz University of Medical Sciences, Box\n71468-64685, Shiraz, Iran"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ebrahim","family":"Nakhaei","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Faculty of Science, University of Sistan and Baluchestan (USB), P.O.Box 98135-\n674, Zahedan, Iran"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Fatemeh","family":"Rezagholi","sequence":"additional","affiliation":[{"name":"Pharmaceutical Sciences Research Center, Shiraz University of Medical Sciences, Box\n71468-64685, Shiraz, Iran"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"965","reference":[{"key":"ref=1","author":"Aronson J.K.","year":"2020","unstructured":"Aronson J.K.;  Coronaviruses\u2013a general introduction  Available From:  https:\/\/www.cebm.net\/covid-19\/coronaviruses-a-general-introduction\/2020","journal-title":"Coronaviruses\u2013a general introduction"},{"key":"ref=2","doi-asserted-by":"publisher","first-page":"e84","DOI":"10.3346\/jkms.2020.35.e84","volume":"35","author":"Park W.B.","year":"2020","unstructured":"Park W.B.; Kwon N.J.; Choi S.J.; Virus isolation from the first patient with SARS-CoV-2 in Korea. 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