Tuning HDAC Inhibition, Cell Uptake, and Antiproliferative Activity of Vorinostat-Derived Half-Sandwich Complexes with Phosphine Co-Ligands.

Discovery of cyanocarbonimidodithioates as novel non-hydroxamate zinc-binding groups for selective HDAC8 inhibition: Design, synthesis, biological evaluation, anticancer activity, and in silico studies.

Design of L-borneol-containing biguanide derivatives and their half-sandwich Ru(II)-p-cymene complexes: DNA/HSA binding properties, antioxidant activity and antiproliferative effects in glioblastoma cells.

In this study, half-sandwich Ru(II)-p-cymene complexes containing L-borneol-based biguanide ligands were synthesized, characterized and evaluated for their biological properties. Lipophilicity (logP) and hydrolysis studies demonstrated that the biguanide moiety and its substituents significantly influence hydration beh...

Discovery of 4-Aminoquinazoline Derivatives as Potent PKMYT1 Inhibitors via Hydrogen Bond Donor-To-Acceptor Conversion for CCNE1-Amplified Cancers.

PKMYT1 is a critical regulator of the cell cycle and has emerged as a promising synthetic lethal target for CCNE1-amplified cancers. In this study, we report the design, synthesis, and biological evaluation of a novel series of 4-aminoquinazoline-based PKMYT1 inhibitors. A hydrogen bond donor-to-acceptor conversion str...

Computationally Guided Design of New Naphthalene-Oxazole-Hydrazone Derivatives as Potential HDAC Inhibitors: ADME Assessment, Molecular Docking, Molecular Dynamics, and MM/GBSA Analysis

Computational findings suggest that the designed naphthalene–oxazole–hydrazone derivatives emerged as the most promising candidate among the designed derivatives based on the computational analyses that warrant further synthesis and biological evaluation.

Discovery of pyrimidine-based dual CDK2/TrkA inhibitors: Synthesis, antiproliferative activity, and mechanistic insights.

A series of newly synthesized pyrimidine analogues 12a-o was developed as dual CDK2/TrkA inhibitors. Synthesis of the target compounds was achieved via a condensation reaction of methyl trifluoroacetoacetate with thiourea, followed by alkylation with various benzyl chlorides. Subsequent chlorination with POCl3 and fina...

Dual inhibitors of CDK2 and TRKA kinases: design, synthesis, antiproliferative activity and molecular modeling of novel pyrazolopyrimidine derivatives

Simultaneous inhibition of CDK2 and TRKA presents a promising therapeutic avenue for cancer treatment, capitalizing on the critical roles of CDK2 in cell cycle regulation and TRKA in tumor cell survival and progression. In continuation of our previous work on dual CDK2/TRKA inhibitors, two series of pyrazolo[1,5-a]pyri...