Quantum chemical modeling, molecular docking, and ADMET evaluation of imidazole phenothiazine hybrids.

ABSTRACT: Cancer is one of the biggest challenges for health concerns in the world. There are so many drugs available, but they have a lack of specificity, poor safety, side effects, and the development of resistance. Therefore, there is an urgent need for much safer and more targeted anticancer treatments. Nitrogen-containing heterocycles play an important role in the development of drugs. Recently, imidazole and phenothiazine rings are well known for their antiproliferative and anticancer activities. This study employs the molecular hybridisation method to link these bioactive scaffolds and develop novel N-substituted imidazole-phenothiazine (N-IPTZ) hybrids. All the synthesised hybrids were characterised by using analytical techniques such as ¹H-NMR,¹³C-NMR, mass spectrum, a

SUBMITTER: Shukla D 

PROVIDER: S-EPMC12223006 | biostudies-literature | 2025 Jul

REPOSITORIES: biostudies-literature