Structure-Activity Relationship Prediction-Based Synthesis and Cytotoxicity Evaluation against the HEp-2 Laryngeal Carcinoma Cell of Isoflavone-Cytisine Mannich Bases.

QSAR analysis of previously synthesized and nature-inspired virtual isoflavone-cytisine hybrids against the HEp-2 laryngeal carcinoma cell lines was performed using the OCHEM web platform. The validation of the models using an external test set proved that the models can be used to predict the activity of newly designed compounds such as 8-cytisinylmethyl derivatives of 5,7- and 6,7-dihydroxyisoflavones. The synthetic procedure for selective aminomethylation of 5,7-dihydroxyisoflavones with cytisine was developed.

Pharmacoeconomic and epidemiological bases of optimal rotavirus vaccine supply for Ukrainian population.

Objective: Introduction: Several studies has shown that rotaviruses play a leading role in the structure of acute intestinal infections (AII) of viral etiology in children. In the National vaccination calendar of Ukraine, vaccination against rotavirus infection (RVI) is classified as recommended, with the expected goal of reducing the number of severe RVI cases among under five-year-old children. Nevertheless, despite the positive epidemiological and clinical effects of vaccination against RVI, it remains unclear how appropriate the introduction of rotavirus vaccines is in terms of potential costs and benefits, as well as determining the optimal level of subsidy required to cover part of the costs of voluntary vaccination of the population.

1,3-Oxazole derivatives as potential anticancer agents: Computer modeling and experimental study.

Microtubules play a significant role in cell growth and functioning. Therefore inhibition of the microtubule assemblies has emerged as one of the most promising cancer treatment strategies. Predictive QSAR models were built on a series of selective inhibitors of the tubulin were performed by using Associative Neural Networks (ANN).