Abstract
In-silico ADME and toxcity studies of some novel indole derivativesC. H. S. Venkataramana, K. M. Ramya Sravani, S. Swetha Singh, V. Madhavan
Highlights
Cyclin-dependent kinases (CDKs) are members of the serine/threonine protein kinases family and are important modulators of the cell cycle process
Structure-based and ligand-based drug design methods were applied on a dataset of 52 pyrido[2,3-d]pyrimidin-7-one-based CDK4 inhibitors
The dataset selected for molecular modeling studies compromises 52 CDK4 inhibitors based on the pyrido[2,3-d] pyrimidin-7-one scaffold (Table 1) that has a phenyl ring attached to secondary amine (Barvian et al, 2000)
Summary
Cyclin-dependent kinases (CDKs) are members of the serine/threonine protein kinases family and are important modulators of the cell cycle process. Targeting the CDKs for the treatment of various types of cancer has been shown to be a valid and promising therapeutic approach (Wenzel and Singh, 2018). The CDK4 enzyme is involved in controlling the progression of the cell cycle’s G1 phase and inhibiting this enzyme prevents cell division. As the CDK4 has been observed to be overexpressed in several types of cancer, it has gained attention as a target for small molecules anticancer agents, in particular for the treatment of breast cancer (Bendris et al, 2015; Brown et al, 2015; Pandey et al, 2019). Derivatives of the pyrido[2,3-d]pyrimidin-7one scaffold (shown in Table 1) have been shown to have CDK4 inhibitory activity with modest selectivity towards other kinases (Barvian et al, 2000).
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