The protozoan parasite Trypanosoma cruzi is the causative agent of Chagas disease, most important parasitic infection in Latin America. only treatments currently available are nitro-derivative drugs that characterised by high toxicity and limited efficacy. Therefore, there an urgent need for more effective, less toxic therapeutic agents. We have previously identified potential Mannich base deri...

Introduction: Cancer has been one of the highest causes morbidity and mortality in world for decades. Owing to improved therapeutics along with detection, breast cancer slowly reducing. The incidence cancer, on other hand, increased gradually. More than 100 types have identified a wide range treatment protocols comprising chemotherapy, radiation therapy, hormone etc. In an attempt curb serious ...

Background: Nicastrin is a confirmed breast cancer target, but the lack of knowledge about its binding sites and structural basis interactions with known small molecules makes development against it challenging. Methods: Molecular docking molecular dynamics simulations were used in this work to identify nicastrin, gamma-secretase c...

In this study, physicochemical properties of 49 compounds extracted from anti-inflammatory sponge species with the aim of ADMET test and Lipinski rule of five have been determined. Fourteen compounds, which showed best results, were subjected to molecular docking studies with IL-17. Among these compounds, Four compounds with low binding energy were obtained. These compounds, namely, frondosins ...