| dc.contributor.author | Farwa Batool | |
| dc.contributor.author | Muhammad Saeed | |
| dc.contributor.author | Hafiza Nosheen Saleem | |
| dc.contributor.author | Luisa Kirschner | |
| dc.contributor.author | Jochen Bodem | |
| dc.contributor.other | Department of Chemistry and Chemical Engineering, Syed Babar Ali School of Science and Engineering, Lahore University of Management Sciences, Lahore 54692, Pakistan | |
| dc.contributor.other | Department of Chemistry and Chemical Engineering, Syed Babar Ali School of Science and Engineering, Lahore University of Management Sciences, Lahore 54692, Pakistan | |
| dc.contributor.other | Department of Chemistry and Chemical Engineering, Syed Babar Ali School of Science and Engineering, Lahore University of Management Sciences, Lahore 54692, Pakistan | |
| dc.contributor.other | Institut für Virologie und Immunbiologie, Versbacher Straße 7, 97078 Würzburg, Germany | |
| dc.contributor.other | Institut für Virologie und Immunbiologie, Versbacher Straße 7, 97078 Würzburg, Germany | |
| dc.date.accessioned | 2025-10-09T05:32:43Z | |
| dc.date.available | 2025-10-09T05:32:43Z | |
| dc.date.issued | 01-04-2021 | |
| dc.identifier.uri | https://www.mdpi.com/2076-0817/10/4/464 | |
| dc.identifier.uri | http://digilib.fisipol.ugm.ac.id/repo/handle/15717717/41149 | |
| dc.description.abstract | Several new <i>N</i>-substituted 1,2-benzisothiazol-3(2<i>H</i>)-ones (BITs) were synthesised through a facile synthetic route for testing their anti-dengue protease inhibition. Contrary to the conventional multistep synthesis, we achieved structurally diverse BITs with excellent yields using a two-step, one-pot reaction strategy. All the synthesised compounds were prescreened for drug-like properties using the online Swiss Absorption, Distribution, Metabolism and Elimination (SwissADME) model, indicating their favourable pharmaceutical properties. Thus, the synthesised BITs were tested for inhibitory activity against the recombinant dengue virus serotype-2 (DENV-2) NS2BNS3 protease. Dose–response experiments and computational docking analyses revealed that several BITs bind to the protease in the vicinity of the catalytic triad with IC<sub>50</sub> values in the micromolar range. The DENV2 infection assay showed that two BITs, 2-(2-chlorophenyl)benzo[d]isothiazol-3(2<i>H</i>)-one and 2-(2,6-dichlorophenyl)benzo[<i>d</i>]isothiazol-3(2<i>H</i>)-one, could suppress DENV replication and virus infectivity. These results indicate the potential of BITs for developing new anti-dengue therapeutics. | |
| dc.language.iso | EN | |
| dc.publisher | MDPI AG | |
| dc.subject.lcc | Medicine | |
| dc.title | Facile Synthesis and In Vitro Activity of <i>N</i>-Substituted 1,2-Benzisothiazol-3(2<i>H</i>)-ones against Dengue Virus NS2BNS3 Protease | |
| dc.type | Article | |
| dc.description.keywords | dengue virus | |
| dc.description.keywords | direct-acting antivirals | |
| dc.description.keywords | 1,2-benzisothiazolinone | |
| dc.description.keywords | drug discovery | |
| dc.description.keywords | infectivity assays | |
| dc.description.doi | 10.3390/pathogens10040464 | |
| dc.title.journal | Pathogens | |
| dc.identifier.e-issn | 2076-0817 | |
| dc.identifier.oai | oai:doaj.org/journal:d8fe8a89ce6043eeb3ebe3b51c0230f9 | |
| dc.journal.info | Volume 10, Issue 4 | |
