{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,16]],"date-time":"2026-07-16T02:31:22Z","timestamp":1784169082211,"version":"3.55.0"},"reference-count":50,"publisher":"MDPI AG","issue":"8","license":[{"start":{"date-parts":[[2020,7,30]],"date-time":"2020-07-30T00:00:00Z","timestamp":1596067200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Biology"],"abstract":"<jats:p>Withania coagulans (W. coagulans) is well-known in herbal medicinal systems for its high biological potential. Different parts of the plant are used against insomnia, liver complications, asthma, and biliousness, as well as it is reported to be sedative, emetic, diuretic, antidiabetic antimicrobial, anti-inflammatory, antitumor, hepatoprotective, antihyperglycemic, cardiovascular, immuno-suppressive and central nervous system depressant. Withanolides present in W. coagulans have attracted an immense interest in the scientific field due to their diverse therapeutic applications. The current study deals with chemical and biological evaluation of chloroform, and n-butanol fractions of W. coagulans. The activity-guided fractionation of both extracts via multiple chromatographic steps and structure elucidation of pure isolates using spectroscopies (NMR, mass spectrometry, FTIR and UV-Vis) led to the identification of a new withanolide glycoside, withacogulanoside-B (1) from n-butanol extract and five known withanolides from chloroform extract [withanolid J (2), coagulin E (3), withaperuvin C (4), 27-hydroxywithanolide I (5), and ajugin E (6)]. Among the tested compounds, compound 5 was the most potent \u03b1-glucosidase inhibitor with IC50 = 66.7 \u00b1 3.6 \u00b5M, followed by compound 4 (IC50: 407 \u00b1 4.5 \u00b5M) and compound 2 (IC50: 683 \u00b1 0.94 \u00b5M), while no antiglycation activity was observed with the six isolated compounds. Molecular docking was used to predict the binding potential and binding site interactions of these compounds as \u03b1-glucosidase inhibitors. Consequently, this study provides basis to discover specific antidiabetic compounds from W. coagulans.<\/jats:p>","DOI":"10.3390\/biology9080197","type":"journal-article","created":{"date-parts":[[2020,7,31]],"date-time":"2020-07-31T04:15:31Z","timestamp":1596168931000},"page":"197","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":28,"title":["Isolation of Antidiabetic Withanolides from Withania coagulans Dunal and Their In Vitro and In Silico Validation"],"prefix":"10.3390","volume":"9","author":[{"given":"Saima","family":"Maher","sequence":"first","affiliation":[{"name":"Department of Chemistry, Sardar Bahadur Khan Woman University, Quetta 95000, Pakistan"},{"name":"H.E.J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"M. Iqbal","family":"Choudhary","sequence":"additional","affiliation":[{"name":"H.E.J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Pakistan"},{"name":"Department of Chemistry, College of Science, King Saud University, Riyadh-11451, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Farooq","family":"Saleem","sequence":"additional","affiliation":[{"name":"Faculty of Pharmacy, The University of Lahore, Lahore 54000, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Saima","family":"Rasheed","sequence":"additional","affiliation":[{"name":"H.E.J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Imran","family":"Waheed","sequence":"additional","affiliation":[{"name":"Akhtar Saeed College of Pharmaceutical Sciences, Bahria Town, Lahore 54000, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sobia Ahsan","family":"Halim","sequence":"additional","affiliation":[{"name":"Natural and Medical Sciences Research Center, University of Nizwa, Nizwa 616, Oman"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Muhammad","family":"Azeem","sequence":"additional","affiliation":[{"name":"Faculty of Pharmacy, The University of Lahore, Lahore 54000, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8701-1874","authenticated-orcid":false,"given":"Iskandar Bin","family":"Abdullah","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Faculty of Sciences, University Malaya, Kuala Lumpur 50603, Malaysia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8675-6540","authenticated-orcid":false,"given":"Matheus","family":"Froeyen","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical and Pharmacological Sciences, Rega Institute for Medical Research, Medicinal Chemistry, University of Leuven, B-3000 Leuven, Belgium"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9120-2414","authenticated-orcid":false,"given":"Muhammad Usman","family":"Mirza","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical and Pharmacological Sciences, Rega Institute for Medical Research, Medicinal Chemistry, University of Leuven, B-3000 Leuven, Belgium"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0059-477X","authenticated-orcid":false,"given":"Sarfraz","family":"Ahmad","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Faculty of Sciences, University Malaya, Kuala Lumpur 50603, Malaysia"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2020,7,30]]},"reference":[{"key":"ref_1","first-page":"582","article-title":"The wealth of India, New Delhi: Publications and informations directorate","volume":"X","author":"Chadha","year":"1976","journal-title":"CSIR"},{"key":"ref_2","first-page":"2289","article-title":"Evaluation of taxonomic status of medicinal species of the genus Hyoscyamous, Withania, Atropa and Datura based on polyacrylamide gel electrophoresis","volume":"40","author":"Yousaf","year":"2008","journal-title":"Pak. 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