Organochlorine Pesticides (OCP) are organic compounds obtained by the chlorination of various unsaturated hydrocarbons. They are very toxic and therefore belong to the family of persistent organic pollutants. If formerly these pesticides were used to fight against certain vectors of diseases and thus improve the productivity of the host, today they are considered as "enemy" of the environment. To understand the origin of the toxicity of organochlorine compounds, we used 73 molecules (test set: 50 and validation: 23) containing at least one chlorine atom and for which the toxicity (LogLC50) against Poecilia reticulata is known to establish QSAR models. Firstly, we used principal component analysis (PCA) to identify the best descriptors. Then, the different models were established using the method of multiple linear regression (MLR). Models established with quantum and physicochemical descriptors only showed satisfactory results. But the best model was determined with the combination of both quantum and physicochemical descriptors. The criteria of this model are as follows: R2 = 0.939 ; R2ajusted = 0.932 ; Pvalue < 0.0001; α = 0.05 R2CV = 0.935 ; R2 - R2CV = 0.004 ; MCE = 0.073; F = 134.701 These criteria show that the toxicity of organochlorine compounds is well described by the combination of quantum and physicochemical descriptors namely lipophilia (LogP), polarizability (pol), entropy (S), zero-point energy (ZPE) and the number of chlorine atoms (NCl).

The socioeconomic, cultural, therapeutic, and nutritional potential of Amazonian fruits has been limited due to the scarce information about its phytochemical profile. The aim of this study was to determine the total phenolic content profiles by Folin colorimetric miniaturized assay, the identification of phenolic compounds by UHPLC-HRMS, the antioxidant capacity by DPPH, ABTS, and NBT assays, as well as, the antiproliferative activity by sulforhodamine B assay of extracts obtained from ten native fruits to the Amazon region, some of these consumed especially by indigenous population. A strong positive correlation between the content of total phenolic compounds and antioxidant capacity was demonstrated. The antiproliferative activities against Caco-2 cell line didn't necessarily be associated with a high antioxidant capacity and the total phenolic concentration, possibly, qualitative and quantitative differences in phenolic composition of these fruits influenced the antiproliferative activities. This research presented, for the first time, important characteristics of Amazon exotic fruits.