What type of study is this?

This is a In Vitro Study study (also classified as: Quantitative Study, Experimental Study).

September 23, 2025

Investigation of In-silico DFT, ADMET prediction, and molecular docking insight: Synthesis and in-vitro α-amylase activity of novel benzoxazole and benzothiazole scaffolds

Key Points

Novel benzoxazole and benzothiazole compounds demonstrate promising α-amylase activity, indicating potential therapeutic applications.
In-silico methods, including DFT and molecular docking, were utilized to predict the activity of these compounds accurately.
The study combines molecular docking insights with in-vitro assessment, offering a comprehensive understanding of compound efficacy.
Findings may support future drug design efforts targeting α-amylase-related conditions, such as diabetes.

Abstract

Journal of Computational Biophysics and ChemistryAccepted Papers No AccessInvestigation of In-silico DFT, ADMET prediction, and molecular docking insight: Synthesis and in-vitro α-amylase activity of novel benzoxazole and benzothiazole scaffoldsAsma Sardar, Hina Sarfraz, Rafaqat Hussain, Shoaib Khan, Yousaf Khan, Haseena Naz, Ayaz Ali Khan, Ammena Y. Binsaleh, Maher S. Alwethaynani, Nawal Al-Hoshani, Hayam A. Alwabsi, and Fakhria A. Al-JoufiAsma Sardar, Hina Sarfraz Search for more papers by this author , Rafaqat Hussain Search for more papers by this author , Shoaib Khan Search for more papers by this author , Yousaf Khan Search for more papers by this author , Haseena Naz Search for more papers by this author , Ayaz Ali Khanhttps://orcid.org/0000-0002-9274-2620 Search for more papers by this author , Ammena Y. Binsaleh Search for more papers by this author , Maher S. Alwethaynani Search for more papers by this author , Nawal Al-Hoshani Search for more papers by this author , Hayam A. Alwabsi Search for more papers by this author , and Fakhria A. Al-Joufi Search for more papers by this author https://doi.org/10.1142/S2737416526500018Cited by:0 (Source: Crossref) PreviousNext AboutSectionsPDF/EPUB ToolsAdd to favoritesDownload CitationsTrack CitationsRecommend to Library ShareShare onFacebookTwitterLinked InRedditEmail FiguresReferencesRelatedDetails Recommended Accepted Papers Metrics History Received 15 July 2025 Accepted 13 September 2025 PDF download

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