{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,1]],"date-time":"2026-10-01T22:03:39Z","timestamp":1790892219659,"version":"4.1.0"},"reference-count":44,"publisher":"MDPI AG","issue":"6","license":[{"start":{"date-parts":[[2022,5,27]],"date-time":"2022-05-27T00:00:00Z","timestamp":1653609600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"The Oman Research Council (TRC)","award":["BFP\/RGP\/CBS\/21\/002"],"award-info":[{"award-number":["BFP\/RGP\/CBS\/21\/002"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Pharmaceuticals"],"abstract":"<jats:p>A new series of (S)-flurbiprofen derivatives 4a\u20134p and 5a\u20135n were synthesized with different aromatic or aliphatic aldehydes and ketones to produce Schiff\u2019s bases and their structures were confirmed through HR-ESI-MS, 1H, and 13C-NMR spectroscopy. The \u03b1-glucosidase inhibitory activities of the newly synthesized compounds were scrutinized, in which six compounds 5k, 4h, 5h, 4d, 4b, and 5i showed potent inhibition in the range of 0.93 to 10.26 \u00b5M, respectively, whereas fifteen compounds 4c, 4g, 4i, 4j, 4l, 4m, 4o, 4p, 5c, 5d, 5j, 5l, 5m, 5n and 1 exhibited significant inhibitory activity with IC50 in range of = 11.42 to 48.39 \u00b5M. In addition, compounds 5g, 5f, 4k, 4n, and 4f displayed moderate-to-low activities. The modes of binding of all the active compounds were determined through the molecular docking approach, which revealed that two residues, specifically Glu277 and His351 are important in the stabilization of the active compounds in the active site of \u03b1-glucosidase. Furthermore, these compounds block the active site with high binding energies (\u22127.51 to \u22123.36 kcal\/mol) thereby inhibiting the function of the enzyme.<\/jats:p>","DOI":"10.3390\/ph15060672","type":"journal-article","created":{"date-parts":[[2022,5,29]],"date-time":"2022-05-29T23:43:03Z","timestamp":1653867783000},"page":"672","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":87,"title":["Bio-Oriented Synthesis of Novel (S)-Flurbiprofen Clubbed Hydrazone Schiff\u2019s Bases for Diabetic Management: In Vitro and In Silico Studies"],"prefix":"10.3390","volume":"15","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-0475-2376","authenticated-orcid":false,"given":"Aftab","family":"Alam","sequence":"first","affiliation":[{"name":"Department of Chemistry, University of Malakand, Dir Lower P.O. Box 18800, Khyber Pakhtunkhwa, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mumtaz","family":"Ali","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Malakand, Dir Lower P.O. Box 18800, Khyber Pakhtunkhwa, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1563-225X","authenticated-orcid":false,"given":"Najeeb Ur","family":"Rehman","sequence":"additional","affiliation":[{"name":"Natural and Medical Sciences Research Center, University of Nizwa, PC 616, Birkat Al Mauz, Nizwa P.O. Box 33, Oman"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Saeed","family":"Ullah","sequence":"additional","affiliation":[{"name":"Natural and Medical Sciences Research Center, University of Nizwa, PC 616, Birkat Al Mauz, Nizwa P.O. Box 33, Oman"},{"name":"Husein Ebrahim Jamal Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Sindh, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sobia Ahsan","family":"Halim","sequence":"additional","affiliation":[{"name":"Natural and Medical Sciences Research Center, University of Nizwa, PC 616, Birkat Al Mauz, Nizwa P.O. Box 33, Oman"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Abdul","family":"Latif","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Malakand, Dir Lower P.O. Box 18800, Khyber Pakhtunkhwa, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"family":"Zainab","sequence":"additional","affiliation":[{"name":"College of Chemistry and Materials Science, Hebei Normal University, Shijiazhuang 050024, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ajmal","family":"Khan","sequence":"additional","affiliation":[{"name":"Natural and Medical Sciences Research Center, University of Nizwa, PC 616, Birkat Al Mauz, Nizwa P.O. Box 33, Oman"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7388-4888","authenticated-orcid":false,"given":"Obaid","family":"Ullah","sequence":"additional","affiliation":[{"name":"Natural and Medical Sciences Research Center, University of Nizwa, PC 616, Birkat Al Mauz, Nizwa P.O. Box 33, Oman"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4449-6525","authenticated-orcid":false,"given":"Shujaat","family":"Ahmad","sequence":"additional","affiliation":[{"name":"Department of Pharmacy, Shaheed Benazir Bhutto University Sheringal, Dir Upper P.O. Box 18800, Khyber Pakhtunkhwa, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0815-5942","authenticated-orcid":false,"given":"Ahmed","family":"Al-Harrasi","sequence":"additional","affiliation":[{"name":"Natural and Medical Sciences Research Center, University of Nizwa, PC 616, Birkat Al Mauz, Nizwa P.O. Box 33, Oman"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Manzoor","family":"Ahmad","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Malakand, Dir Lower P.O. Box 18800, Khyber Pakhtunkhwa, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2022,5,27]]},"reference":[{"key":"ref_1","first-page":"930","article-title":"Acylhydrazide Schiff bases: Synthesis and antiglycation activity","volume":"34","author":"Khan","year":"2013","journal-title":"J. Chem. Soc. Pak."},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"10912","DOI":"10.3390\/molecules180910912","article-title":"Synthesis, evaluation of antioxidant activity and crystal structure of 2, 4-dimethylbenzoylhydrazones","volume":"18","author":"Taha","year":"2013","journal-title":"Molecules"},{"key":"ref_3","doi-asserted-by":"crossref","first-page":"452","DOI":"10.2174\/1573406411208030452","article-title":"2,4,6-Trichlorophenylhydrazine Schiff bases as DPPH radical and super oxide anion scavengers","volume":"8","author":"Shah","year":"2012","journal-title":"Med. 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