Bis(thio)carbohydrazone Luminogens with AIEE and ACQ Features and Their In Silico Investigations with SARS-CoV-2.

ABSTRACT: Herein, we report two novel multidentate luminogen proligands bis(3,5-diiodosalicylidene) carbohydrazone (H₄L¹) and bis(3,5-diiodosalicylidene) thiocarbohydrazone (H₄L²), which are suitable candidates for biomedical applications. Though the thiocarbohydrazone H₄L² shows aggregation caused quenching (ACQ), the carbohydrazone H₄L¹ exhibits stronger fluorescence due to aggregation induced emission enhancement (AIEE). Molecular docking studies of H₄L¹ and H₄L² along with four similar (thio)carbohydrazones with the active sites of SARS-CoV-2 main protease 3CL^pro reveals that the thiocarbohydrazones, in general, are showing better propensity compared to t

SUBMITTER: Mohammed Hashim KK 

PROVIDER: S-EPMC9349619 | biostudies-literature | 2022 Jul

REPOSITORIES: biostudies-literature