{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2024,9,15]],"date-time":"2024-09-15T06:29:14Z","timestamp":1726381754187},"reference-count":0,"publisher":"CMB Association","issue":"4","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Cell Mol Biol (Noisy-le-grand)"],"abstract":"<jats:p>Developing new prophylactic and therapeutic agents with broad-spectrum antiviral activities is urgently needed to combat emerging human severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Since no available clinically antiviral drugs have been approved to eradicate COVID-19 as of the writing of this report, this study aimed to investigate bioactive short peptides from Allium subhirsutum L. (Hairy garlic) extracts identified through HR-LC\/MS analysis that could potentially hinder the multiplication cycle of SARS-CoV-2 via molecular docking study. The obtained promising results showed that the peptides (Asn-Asn-Asn) possess the highest binding affinities of -8.4 kcal\/mol against S protein, (His-Phe-Gln) of -9.8 kcal\/mol and (Gln-His-Phe) of -9.7 kcal\/mol towards hACE2, (Thr-Leu-Trp) of -10.3 kcal\/mol and (Gln-Phe-Tyr) of -9.8 kcal\/mol against furin. Additionally, the identified peptides show strong interactions with the targeted and pro-inflammatory ranging from -8.1 to -10.5 kcal\/mol for NF\u2212\u03baB-inducing kinase (NIK), from -8.2 to -10 kcal\/mol for phospholipase A2 (PLA2), from -8.0 to -10.7 kcal\/mol for interleukin-1 receptor-associated kinase 4 (IRAK-4), and from -8.6 to -11.6 kcal\/mol for the cyclooxygenase 2 (COX2) with Gln-Phe-Tyr model seems to be the most prominent. Results from pharmacophore, drug-likeness and ADMET prediction analyses clearly evidenced the usability of the peptides to be developed as an effective drug, beneficial for COVID-19 treatment.<\/jats:p>","DOI":"10.14715\/cmb\/2021.67.4.17","type":"journal-article","created":{"date-parts":[[2022,1,10]],"date-time":"2022-01-10T13:50:11Z","timestamp":1641822611000},"page":"143-162","source":"Crossref","is-referenced-by-count":6,"title":["Tripeptides from Allium subhirsitum L. extracts: Pharmacokinetics properties, toxicity prediction and in silico study against SARS-CoV-2 enzymes and pro-inflammatory proteins"],"prefix":"10.14715","volume":"67","author":[{"given":"Mejdi","family":"Snoussi","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Emira","family":"Noumi","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Amor","family":"Mosbah","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Alaeddine","family":"Redissi","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mohd","family":"Saeed","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Munazzah","family":"Tasleem","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mousa","family":"Alreshidi","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mohd","family":"Adnan","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ayshah","family":"Al-Rashidi","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Arif Jamal","family":"Siddiqui","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ka\u00efss","family":"Aouadi","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Vincenzo","family":"De Feo","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Adel","family":"Kadri","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"5752","published-online":{"date-parts":[[2022,1,2]]},"container-title":["Cellular and Molecular Biology"],"original-title":[],"link":[{"URL":"https:\/\/cellmolbiol.org\/index.php\/CMB\/article\/download\/4047\/1877","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/cellmolbiol.org\/index.php\/CMB\/article\/download\/4047\/1877","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2022,1,20]],"date-time":"2022-01-20T09:20:35Z","timestamp":1642670435000},"score":1,"resource":{"primary":{"URL":"https:\/\/cellmolbiol.org\/index.php\/CMB\/article\/view\/4047"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022,1,2]]},"references-count":0,"journal-issue":{"issue":"4","published-online":{"date-parts":[[2022,1,2]]}},"URL":"https:\/\/doi.org\/10.14715\/cmb\/2021.67.4.17","relation":{},"ISSN":["1165-158X","0145-5680"],"issn-type":[{"value":"1165-158X","type":"electronic"},{"value":"0145-5680","type":"print"}],"subject":[],"published":{"date-parts":[[2022,1,2]]}}}