Due to its extensive biological activity and structural heterogeneity, the special nitrogen‐containing heterocyclic compound isatin (1
H
‐indole‐2,3‐dione) has attracted significant interest. This paper explains the synthesis and action of heterocyclic isatin hybrids that induce apoptosis by blocking kinases, serving as an appropriate model for the development of new anticancer drugs. Isatin has significant potential to form potent isatin hybrids and conjugates that target multiple carcinogenic pathways through various chemical modifications. Remarkably, isatin hybrids have demonstrated anticancer activity across numerous cancer cell lines. Their activities include inhibition of tubulin polymerization, caspase activation, apoptosis mediated by mitochondria, and regulation of kinases. Several synthetic isatin‐based drugs show excellent IC
50
values and low toxicity against normal cells. This review also summarizes recent synthetic advancements like microwave‐assisted and multi‐component methods. In addition to summarizing recent advances, this review critically integrates SAR, molecular docking, kinase selectivity, synthetic feasibility, CADD, predictive ADMET profiling, and translational challenges to afford a complete roadmap for isatin‐based anticancer drug discovery. Overall, these findings reveal that isatin is a useful framework for developing new anticancer drugs. In the future, nano‐formulation drug delivery systems with new drug signaling pathways will be promoted to increase bioavailability and targeted delivery, especially in solid tumors.
Abstract The rhodanine core or 2-thioxothiazolidin-4-one, a five-membered heterocyclic ring system, has garnered significant interest in drug discovery, owing to its diverse biological activities. Derivatization of rhodamine has yielded many clinically useful therapeutic compounds for various ailments due to the presence of both nitrogen and sulfur heteroatoms within its ring system. Its broad-spectrum activities are facilitated by its two key electrophilic binding groups, ketone and thioketone, which enable interactions with various biological targets. Significant advances have been made toward its efficient synthetic strategies for drug discovery and development. This comprehensive review discusses rational design strategies for rhodanine-based heterocycles and their therapeutic potential as antibacterial, anti-diabetes, anti-Alzheimer’s, anticancer, anthelmintic, anti-obesity, and against COVID-19. The article also sheds light on the synthetic strategies used to develop rhodamine derivatives and drug design supported with detailed structure-activity relationships (SAR). Further molecular docking providing mechanistic insights into their binding modes within receptors are also presented. These structural insights could help in further rational design of potent rhodamine derivatives as newer and safer therapeutic agents. Graphical AbstractCentral yellow molecular structure linked to various disease icons: anticancer, antibacterial, anti-Alzheimer, anti-COVID-19, antidiabetic, and anthelmintic.The diagram presents a central yellow molecular structure with elements like nitrogen (N), sulfur (S), and oxygen (O). It illustrates connections to diverse biological applications: anticancer, antibacterial, anti-Alzheimer, anti-COVID-19, antidiabetic & anti-obesity, and anthelmintic, represented by icons in surrounding circles. A curved green line labeled "Structure Activity Relationship" encircles the categories. Above, a labeled 'Drug Design' oval and precursor molecules R-NH2, ClCH2COOH, and CS2 are included, visually connecting the drug synthesis process and biological targets.
R. Nath, Lakshminarayan Das, Arka Chakraborty et al.· Phosphorus Sulfur and Silico...· 0 citations
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