{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,5]],"date-time":"2026-06-05T01:21:01Z","timestamp":1780622461981,"version":"3.54.1"},"reference-count":40,"publisher":"Walter de Gruyter GmbH","issue":"11-12","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2022,11,25]]},"abstract":"<jats:title>Abstract<\/jats:title>\n               <jats:p>The coronavirus (SARS-CoV-2) pandemic is rapidly advancing and spreading worldwide, which poses an urgent need to develop anti-SARS-CoV-2 agents. A human receptor, namely, angiotensin-converting enzyme 2 (ACE-2), supports the SARS-CoV-2 entry, therefore, serves as a target for intervention via drug. In the current study, bioinformatic approaches were employed to screen potent bioactive compounds that might be ACE-2 receptor inhibitors. The employment of a docking study using ACE receptor protein with a ready-to-dock database of phytochemicals via MOE software revealed five compounds as potent molecules. Among them, astragaloside exhibited the highest binding affinity\u00a0\u221221.8\u00a0kcal\/mol and stable interactions within the active site of the ACE-2 receptor. Similarly, the phytochemicals such as <jats:ext-link xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" ext-link-type=\"uri\" xlink:href=\"https:\/\/pubchem.ncbi.nlm.nih.gov\/compound\/14057218\">pterocaryanin B<\/jats:ext-link>, <jats:ext-link xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" ext-link-type=\"uri\" xlink:href=\"https:\/\/pubchem.ncbi.nlm.nih.gov\/compound\/60148655\">isoastragaloside II<\/jats:ext-link>, and <jats:ext-link xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" ext-link-type=\"uri\" xlink:href=\"https:\/\/pubchem.ncbi.nlm.nih.gov\/compound\/46899140\">astraisoflavan glucoside<\/jats:ext-link> followed by <jats:ext-link xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" ext-link-type=\"uri\" xlink:href=\"https:\/\/pubchem.ncbi.nlm.nih.gov\/compound\/5281544\">oleuropein<\/jats:ext-link> showed a stronger binding affinity. We hypothesize these compounds as potential lead candidates for the development of anti- COVID-19 target-specific drugs.<\/jats:p>","DOI":"10.1515\/znc-2021-0325","type":"journal-article","created":{"date-parts":[[2022,4,27]],"date-time":"2022-04-27T14:33:37Z","timestamp":1651070017000},"page":"473-482","source":"Crossref","is-referenced-by-count":5,"title":["<i>In-silico<\/i> elucidation reveals potential phytochemicals against angiotensin-converting enzyme 2 (ACE-2) receptor to fight coronavirus disease 2019 (COVID-19)"],"prefix":"10.1515","volume":"77","author":[{"given":"Hina","family":"Khalid","sequence":"first","affiliation":[{"name":"Department of Bioinformatics and Biotechnology , Government College University , Faisalabad , Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sana","family":"Khalid","sequence":"additional","affiliation":[{"name":"Department of Agricultural Engineering and Food Science , Shandong University of Technology , Zibo , China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Muhammad","family":"Sufyan","sequence":"additional","affiliation":[{"name":"Department of Bioinformatics and Biotechnology , Government College University , Faisalabad , Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5495-805X","authenticated-orcid":false,"given":"Usman Ali","family":"Ashfaq","sequence":"additional","affiliation":[{"name":"Department of Bioinformatics and Biotechnology , Government College University , Faisalabad , Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"374","published-online":{"date-parts":[[2022,4,25]]},"reference":[{"key":"2023040103104614644_j_znc-2021-0325_ref_001","doi-asserted-by":"crossref","unstructured":"Khaerunnisa, S, Kurniawan, H, Awaluddin, R, Suhartati, S, Soetjipto, S. 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