{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,5]],"date-time":"2026-08-05T05:20:11Z","timestamp":1785907211053,"version":"3.56.0"},"reference-count":46,"publisher":"MDPI AG","issue":"12","license":[{"start":{"date-parts":[[2022,6,17]],"date-time":"2022-06-17T00:00:00Z","timestamp":1655424000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>Coumarin derivatives are proven for their therapeutic uses in several human diseases and disorders such as inflammation, neurodegenerative disorders, cancer, fertility, and microbial infections. Coumarin derivatives and coumarin-based scaffolds gained renewed attention for treating diabetes mellitus. The current decade witnessed the inhibiting potential of coumarin derivatives and coumarin-based scaffolds against \u03b1-glucosidase and \u03b1-amylase for the management of postprandial hyperglycemia. Hyperglycemia is a condition where an excessive amount of glucose circulates in the bloodstream. It occurs when the body lacks enough insulin or is unable to correctly utilize it. With open-source and free in silico tools, we have investigated novel 80 coumarin derivatives for their inhibitory potential against \u03b1-glucosidase and \u03b1-amylase and identified a coumarin derivative, CD-59, as a potential dual inhibitor. The ligand-based 3D pharmacophore detection and search is utilized to discover diverse coumarin-like compounds and new chemical scaffolds for the dual inhibition of \u03b1-glucosidase and \u03b1-amylase. In this regard, four novel coumarin-like compounds from the ZINC database have been discovered as the potential dual inhibitors of \u03b1-glucosidase and \u03b1-amylase (ZINC02789441 and ZINC40949448 with scaffold thiophenyl chromene carboxamide, ZINC13496808 with triazino indol thio phenylacetamide, and ZINC09781623 with chromenyl thiazole). To summarize, we propose that a coumarin derivative, CD-59, and ZINC02789441 from the ZINC database will serve as potential lead molecules with dual inhibition activity against \u03b1-glucosidase and \u03b1-amylase, thereby discovering new drugs for the effective management of postprandial hyperglycemia. From the reported scaffold, the synthesis of several novel compounds can also be performed, which can be used for drug discovery.<\/jats:p>","DOI":"10.3390\/molecules27123888","type":"journal-article","created":{"date-parts":[[2022,6,19]],"date-time":"2022-06-19T10:14:52Z","timestamp":1655633692000},"page":"3888","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":57,"title":["Discovery of Novel Coumarin Derivatives as Potential Dual Inhibitors against \u03b1-Glucosidase and \u03b1-Amylase for the Management of Post-Prandial Hyperglycemia via Molecular Modelling Approaches"],"prefix":"10.3390","volume":"27","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-7538-311X","authenticated-orcid":false,"given":"Shashank M.","family":"Patil","sequence":"first","affiliation":[{"name":"Department of Biotechnology and Bioinformatics, School of Life Sciences, JSS Academy of Higher Education and Research, Mysuru 570015, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Reshma Mary","family":"Martiz","sequence":"additional","affiliation":[{"name":"Department of Biotechnology and Bioinformatics, School of Life Sciences, JSS Academy of Higher Education and Research, Mysuru 570015, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"A. M.","family":"Satish","sequence":"additional","affiliation":[{"name":"Department of Pharmacology, JSS Medical College, JSS Academy of Higher Education and Research, Mysuru 570015, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1944-8388","authenticated-orcid":false,"given":"Abdullah M.","family":"Shbeer","sequence":"additional","affiliation":[{"name":"Department of Surgery, Faculty of Medicine, Jazan University, Jazan 45142, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mohammed","family":"Ageel","sequence":"additional","affiliation":[{"name":"Department of Surgery, Faculty of Medicine, Jazan University, Jazan 45142, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9079-5788","authenticated-orcid":false,"given":"Mohammed","family":"Al-Ghorbani","sequence":"additional","affiliation":[{"name":"Department of Chemistry, College of Science and Arts, Taibah University, Madina 41477, Saudi Arabia"},{"name":"Department of Chemistry, College of Education, Thamar University, Thamar 425897, Yemen"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"suffix":"V","given":"Lakshmi","family":"Ranganatha","sequence":"additional","affiliation":[{"name":"Department of Chemistry, The National Institute of Engineering, Mysuru 570008, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Saravanan","family":"Parameswaran","sequence":"additional","affiliation":[{"name":"Department of Biotechnology and Bioinformatics, School of Life Sciences, JSS Academy of Higher Education and Research, Mysuru 570015, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ramith","family":"Ramu","sequence":"additional","affiliation":[{"name":"Department of Biotechnology and Bioinformatics, School of Life Sciences, JSS Academy of Higher Education and Research, Mysuru 570015, India"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2022,6,17]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"681","DOI":"10.1093\/jpp\/rgab098","article-title":"Azadirachta indica A. 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