Leveraging new approach methodologies: ecotoxicological modelling of endocrine disrupting chemicals to Danio rerio through machine learning and toxicity studies.

New approach methodologies (NAMs) offer information tailored to the intended application while reducing the use of animals. NAMs aim to develop quantitative structure-activity relationship (QSAR) and quantitive-Read-Across structure-activity relationship (q-RASAR) models to predict and categorize the acute toxicity of known and unknown endocrine-disrupting chemicals (EDCs) against zebrafish. EDCs are a diverse group of toxic substances that disrupt the endocrine system of humans and animals.

A green one-pot synthetic protocol of hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one derivatives: molecular docking, ADMET, anticancer and antimicrobial studies.

Ten hexahydropyrimido[4,5-d]pyrimidine derivatives have been synthesized by using a green and time-efficient microwave method. The synthesized motifs were evaluated for their anticancer activity, antimicrobial activity, molecular docking, drug likeliness and ADMET studies. Comparatively, the hetero-aromatic pyrazole substituted compound 4a exhibited the highest anticancer activity [Mean growth percent: 35.

Role of emerging chitosan and zeolite-modified adsorbents in the removal of nitrate and phosphate from an aqueous medium: A comprehensive perspective.

Due to industrialization and population growth, freshwater supplies are diminishing and becoming impure with high organic pollutant concentrations such as nitrate and phosphate, which shows a high adverse impact on aquatic and human lives. In drinking water sources, particularly groundwater, nitrate is considered as one of the major pollutants which causes methemoglobinemia (in newborn infants), carcinogenic activities and diabetes. Excess concentration of phosphate leads to eutrophication and death of aquatic species due to reduced dissolved oxygen content.