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GSCW\u201051 yielded two new metabolites, <jats:italic>i.\u2009e<\/jats:italic>., 5\u2010hydroxymethyl\u20103\u2010(1\u2010hydroxy\u20106\u2010methyl\u20107\u2010oxooctyl)dihydrofuran\u20102(3<jats:italic>H<\/jats:italic>)\u2010one (<jats:bold>1<\/jats:bold>), 5\u2010hydroxymethyl\u20103\u2010(1,7\u2010dihydroxy\u20106\u2010methyloctyl)dihydrofuran\u20102(3<jats:italic>H<\/jats:italic>)\u2010one (<jats:bold>2<\/jats:bold>), and two known compounds; 5\u2032\u2010methylthioinosine (<jats:bold>3<\/jats:bold>), and 5\u2032\u2010methylthioinosine sulfoxide (<jats:bold>4<\/jats:bold>), which are isolated first time from any natural source, along with four known compounds (<jats:bold>5<\/jats:bold>\u2013<jats:bold>8<\/jats:bold>). The structures of the new compounds were deduced by HR\u2010ESI\u2010MS, 1D and 2D NMR data, and in comparison with related compounds from the literature. Additionally, owing to the current COVID\u201019 pandemic situation, we also computationally explored the therapeutic potential of our isolated compounds against SARS\u2010CoV\u20102. Compound <jats:bold>4<\/jats:bold> showed the best binding energies of \u22126.2 and \u22126.6\u2005kcal\/mol for M<jats:sup>pro<\/jats:sup> and spike proteins, respectively. The intermolecular interactions were also studied using 2\u2010D and 3\u2010D imagery, which also supported the binding energies as well as put several insights under the spotlight. Furthermore, Lipinski's rule of 5 was used to predict the drug likeness of compounds <jats:bold>1<\/jats:bold>\u2013<jats:bold>4<\/jats:bold>, which indicated all compounds obey Lipinski's rule of 5. The study of bioavailability radars of the compounds <jats:bold>1<\/jats:bold>\u2013<jats:bold>4<\/jats:bold> also confirmed their drug likeness properties where all the five crucial drug likeness parameters are in color area, which is safe to be used as drugs. Our isolation and computational findings highly encourage the scientific community to do further <jats:italic>in\u2005vitro<\/jats:italic> and <jats:italic>in\u2005vivo<\/jats:italic> studies of compounds <jats:bold>1<\/jats:bold>\u2013<jats:bold>4<\/jats:bold>.<\/jats:p>","DOI":"10.1002\/cbdv.202100843","type":"journal-article","created":{"date-parts":[[2022,2,25]],"date-time":"2022-02-25T18:04:48Z","timestamp":1645812288000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":4,"title":["Isolation of Thioinosine and Butenolides from a Terrestrial <i>Actinomycetes<\/i> sp. GSCW\u201051 and Their <i>in Silico<\/i> Studies for Potential against SARS\u2010CoV\u20102"],"prefix":"10.1002","volume":"19","author":[{"given":"Mamona","family":"Nazir","sequence":"first","affiliation":[{"name":"Department of Chemistry Government Sadiq College Women University  Bahawalpur 63100 Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5777-6112","authenticated-orcid":false,"given":"Muhammad Imran","family":"Tousif","sequence":"additional","affiliation":[{"name":"Department of Chemistry Division of Science and Technology University of Education Lahore  Lahore 32200 Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Muhammad","family":"Khalid","sequence":"additional","affiliation":[{"name":"Department of Chemistry Khwaja Fareed University of Engineering &amp; Information Technology  Rahim Yar Khan 64200 Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Shehla","family":"Parveen","sequence":"additional","affiliation":[{"name":"Department of Chemistry Government Sadiq College Women University  Bahawalpur 63100 Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Naseem","family":"Akhter","sequence":"additional","affiliation":[{"name":"Department of Chemistry Government Sadiq College Women University  Bahawalpur 63100 Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nosheen","family":"Farooq","sequence":"additional","affiliation":[{"name":"Department of Chemistry Government Sadiq College Women University  Bahawalpur 63100 Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Muhammad Usman","family":"Khan","sequence":"additional","affiliation":[{"name":"Department of Chemistry University of Okara  Okara 56300 Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Rana Farhat","family":"Mehmood","sequence":"additional","affiliation":[{"name":"Department of Chemistry Division of Science and Technology University of Education Lahore  Lahore 32200 Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mohamad Fawzi","family":"Mahomoodally","sequence":"additional","affiliation":[{"name":"Department of Health Sciences Faculty of Medicine and Health Sciences University of Mauritius  230 R\u00e9duit Mauritius"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Shabbir","family":"Muhammad","sequence":"additional","affiliation":[{"name":"Department of Chemistry College of Science King Khalid University  P.O. 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