Synthesis of Thiazole-Chalcone Hybrid Molecules: Antioxidant, Alpha(a)-Amylase Inhibition and Docking Studies

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dc.authoridHaroon, Muhammad/0000-0002-7386-5107
dc.authoridAktaş, Aydın/0000-0001-8496-6782
dc.authoridAkhtar, Tashfeen/0000-0002-4815-0687
dc.authorwosidHaroon, Muhammad/AAG-9058-2021
dc.authorwosidAkhtar, Tashfeen/B-1850-2010
dc.authorwosidAktaş, Aydın/J-6194-2019
dc.contributor.authorIqbal, Hafsa
dc.contributor.authorAkhtar, Tashfeen
dc.contributor.authorHaroon, Muhammad
dc.contributor.authorAktas, Aydin
dc.contributor.authorTahir, Ehsaan
dc.contributor.authorEhsan, Muhammad
dc.date.accessioned2024-08-04T20:53:37Z
dc.date.available2024-08-04T20:53:37Z
dc.date.issued2023
dc.departmentİnönü Üniversitesien_US
dc.description.abstractThe molecular hybrid approach is very significant to combat various drug-resistant disorders. A simple, convenient, and cost-effective synthesis of thiazole-based chalcones is accomplished, using a molecular hybrid approach, in two steps. The compound 1-(2-phenylthiazol-4-yl)ethanone (3) was used as the main intermediate for the synthesis of 3-(arylidene)-1-(2-phenylthiazol-4-yl)prop-2-en-1-ones (4a-f). Thin layer chromatography was used to testify the formation and purity of all synthesized compounds. Further structural confirmation of all compounds was achieved via different spectroscopic techniques (UV, FT-IR, H-1- and C-13-NMR) and elemental analysis. All synthesized compounds were tested for their a-amylase inhibition and antioxidant potential. The cytotoxic property of compounds was also tested with in vitro haemolytic assay. All tested compounds showed moderate to excellent a-amylase inhibition and antioxidant activity. All tested compounds are found safe to use due to their less toxicity when compared to the standard Triton X. The molecular docking simulation study of all synthesized compounds was also conducted to examine the best binding interactions with human pancreatic a-amylase (pdb: 4 W93) using AutodockVina. The molecular docking results authenticated the in vitro amylase inhibition results, i.e., 3-(3-Methoxyphenyl)-1-(2-phenylthiazol-4-yl)prop-2-en-1-one (4e) exhibited lowest IC50 value 54.09 +/- 0.11 mu M with a binding energy of -7.898 kcal/mol.en_US
dc.description.sponsorshipHigher Education Commission (HEC) Pakistan [7270/AJK/NRPU/RD/HEC/2017]en_US
dc.description.sponsorshipAcknowledgments Author Tashfeen Akhtar is thankful to the Higher Education Commission (HEC) Pakistan, for financial support, Project No: 7270/AJK/NRPU/R&D/HEC/2017.en_US
dc.identifier.doi10.1002/cbdv.202201134
dc.identifier.issn1612-1872
dc.identifier.issn1612-1880
dc.identifier.issue5en_US
dc.identifier.pmid37052518en_US
dc.identifier.scopus2-s2.0-85152650083en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.urihttps://doi.org/10.1002/cbdv.202201134
dc.identifier.urihttps://hdl.handle.net/11616/101291
dc.identifier.volume20en_US
dc.identifier.wosWOS:000969362200001en_US
dc.identifier.wosqualityQ3en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.indekslendigikaynakPubMeden_US
dc.language.isoenen_US
dc.publisherWiley-V C H Verlag Gmbhen_US
dc.relation.ispartofChemistry & Biodiversityen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectAntioxidanten_US
dc.subjectchalconesen_US
dc.subjectdockingen_US
dc.subjecthaemolysisen_US
dc.subjectthiazolesen_US
dc.subjectalpha-amylaseen_US
dc.titleSynthesis of Thiazole-Chalcone Hybrid Molecules: Antioxidant, Alpha(a)-Amylase Inhibition and Docking Studiesen_US
dc.typeArticleen_US

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