{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,13]],"date-time":"2026-10-13T21:07:42Z","timestamp":1791925662449,"version":"4.3.4"},"reference-count":44,"publisher":"MDPI AG","issue":"20","license":[{"start":{"date-parts":[[2022,10,11]],"date-time":"2022-10-11T00:00:00Z","timestamp":1665446400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100004242","name":"Princess Nourah bint Abdulrahman University, Riyadh, Saudi Arabia","doi-asserted-by":"publisher","award":["PNURSP2022R186"],"award-info":[{"award-number":["PNURSP2022R186"]}],"id":[{"id":"10.13039\/501100004242","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>Diabetes mellitus is a chronic metabolic disorder in which the pancreas secretes insulin but the body cells do not recognize it. As a result, carbohydrate metabolism causes hyperglycemia, which may be fatal for various organs. This disease is increasing day by day and it is prevalent among people of all ages, including young adults and children. Acarbose and miglitol are famous alpha-glucosidase inhibitors but they complicate patients with the problems of flatulence, pain, bloating, diarrhea, and loss of appetite. To overcome these challenges, it is crucial to discover new anti-diabetic drugs with minimal side effects. For this purpose, benzotriazinone sulfonamides were synthesized and their structures were characterized by FT-IR, 1H-NMR and 13C-NMR spectroscopy. In vitro alpha-glucosidase inhibition studies of all synthesized hybrids were conducted using the spectrophotometric method. The synthesized compounds revealed moderate-to-good inhibition activity; in particular, nitro derivatives 12e and 12f were found to be the most effective inhibitors against this enzyme, with IC50 values of 32.37 \u00b1 0.15 \u00b5M and 37.75 \u00b1 0.11 \u00b5M. In silico studies, including molecular docking as well as DFT analysis, also strengthened the experimental findings. Both leading compounds 12e and 12f showed strong hydrogen bonding interactions within the enzyme cavity. DFT studies also reinforced the strong binding interactions of these derivatives with biological molecules due to their lowest chemical hardness values and lowest orbital energy gap values.<\/jats:p>","DOI":"10.3390\/molecules27206783","type":"journal-article","created":{"date-parts":[[2022,10,12]],"date-time":"2022-10-12T02:10:27Z","timestamp":1665540627000},"page":"6783","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":14,"title":["Experimental and Computational Analysis of Newly Synthesized Benzotriazinone Sulfonamides as Alpha-Glucosidase Inhibitors"],"prefix":"10.3390","volume":"27","author":[{"given":"Zunera","family":"Khalid","sequence":"first","affiliation":[{"name":"Department of Chemistry, Kinnaird College for Women, Lahore 54000, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3318-1739","authenticated-orcid":false,"given":"Maha Abdallah","family":"Alnuwaiser","sequence":"additional","affiliation":[{"name":"Department of Chemistry, College of Science, Princess Nourah bint Abdulrahman University, P.O. Box 84428, Riyadh 11671, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6775-7169","authenticated-orcid":false,"given":"Hafiz Adnan","family":"Ahmad","sequence":"additional","affiliation":[{"name":"School of Chemistry, University of the Punjab, Lahore 54590, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6961-3065","authenticated-orcid":false,"given":"Syed Salman","family":"Shafqat","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Division of Science and Technology, University of Education, Lahore 54770, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Munawar Ali","family":"Munawar","sequence":"additional","affiliation":[{"name":"School of Chemistry, University of the Punjab, Lahore 54590, Pakistan"},{"name":"Department of Basic and Applied Chemistry, FAST, University of Central Punjab, Lahore 54000, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Kashif","family":"Kamran","sequence":"additional","affiliation":[{"name":"Department of Physics, University of Agriculture, Faisalabad 38040, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9134-9002","authenticated-orcid":false,"given":"Muhammad Mujtaba","family":"Abbas","sequence":"additional","affiliation":[{"name":"Department of Mechanical Engineering, University of Engineering and Technology (New Campus), Lahore 54890, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4510-6170","authenticated-orcid":false,"given":"M. A.","family":"Kalam","sequence":"additional","affiliation":[{"name":"Faculty of Engineering and IT, University of Technology, Sydney 2007, Australia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9770-6653","authenticated-orcid":false,"given":"Menna A.","family":"Ewida","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Future University in Egypt, New Cairo 11835, Egypt"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2022,10,11]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","unstructured":"Saddique, F., Aslam, S., Ahmad, M., Ashfaq, U., Muddassar, M., Sultan, S., Taj, S., Hussain, M., Lee, D.S., and Zaki, M. (2021). Synthesis and \u03b1-Glucosidase Inhibition Activity of 2-[3-(Benzoyl\/4-bromobenzoyl)-4-hydroxy-1,1-dioxido-2H-benzo[e][1,2]thiazin-2-yl]-N-arylacetamides: An In Silico and Biochemical Approach. 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