Abstract
The central nervous system is endowed with complex mechanisms of defense. However, these protection mechanisms fail in the presence of risk factors such as genetic mutations, environmental factors (bisphenol A, polycyclic aromatic hydrocarbons (PAHs), polyfluoroalkyl chemicals) or social stress and psychiatric disorders (anxiety, depression, psychosis, attention deficits) appear. Critical psychiatric conditions treatment consists in administration of antidepressants and antipsychotics drugs. These drugs are widely prescribed, but their efficiency in controlling mental symptoms is an important point in current clinical studies.
Antidepressants and antipsychotics register several side effects and their interactions with other polycyclic aromatic hydrocarbons are well established. Research is focused upon reducing these side effects and understanding their pharmacodynamic and pharmacokinetic properties in order to develop advanced methods to predict induced pharmacological events. Here we intend to detail recent advances in the field of structure-activity relationship (QSAR) applied to antidepressants and antipsychotics with polycyclic aromatic structure as last generation drugs used in central nervous system disorders. We present the biological activity of large series of psychiatric drugs predicted by 2D and 3D-QSAR dependent and independent molecules alignment. Predicted biological activities were correlated with common pharmaceutical descriptors as steric, electronic hydrogen donor/acceptor bond but also new components of QSAR models as membrane ions’ contributions to the antagonism of these drugs at membrane receptors are presented. The paper refers both to preclinical tested molecules and to already known antidepressants and antipsychotics based on a large variety of polycyclic aromatic structure. Drug potency decrease in the presence of PAHs is also discussed.
Keywords: Antidepressants, Antipsychotics, Membrane receptors, Polycyclic aromatic structure, QSAR, Pharmaceutical descriptors.
Call for Papers in Thematic Issues
Advances of Heterocyclic Chemistry with Pesticide Activity
Global food safety and security will continue to be a global concern for the next 50 years and beyond. Plant diseases have had a significant impact on food safety and security throughout the entire food chain, from primary production to consumption. While conventional chemical pesticides have been traditionally used for ...read more
Calculation design of covalent/metal organic framework based catalysts
This research area combines theoretical computation and screening with machine learning for the design of covalent/metal organic framework-based catalysts, bridging the disciplines of organic chemistry, physical chemistry, computational chemistry, materials science, and machine learning. It covers several critical aspects: designing and synthesizing organic catalysts for improved performance, applying computational methods ...read more
Carbohydrates conversion in biofuels and bioproducts
Biomass pretreatment, hydrolysis, and saccharification of carbohydrates, and sugars bioconversion in biofuels and bioproducts within a biorefinery framework. Carbohydrates derived from woody biomass, agricultural wastes, algae, sewage sludge, or any other lignocellulosic feedstock are included in this issue. Simulation, techno-economic analysis, and life cycle analysis of a biorefinery process are ...read more
Catalytic C-H bond activation as a tool for functionalization of heterocycles
The major topic is the functionalization of heterocycles through catalyzed C-H bond activation. The strategies based on C-H activation not only provide straightforward formation of C-C or C-X bonds but, more importantly, allow for the avoidance of pre-functionalization of one or two of the cross-coupling partners. The beneficial impact of ...read more
Related Books
Advances in Organic Synthesis
The Synthetic Methods, Structures, and Properties of the Ca-C σ Bond Organocalcium Containing Compounds
Advances in Organic Synthesis
Chemistry of Bipyrazoles: Synthesis and Applications
Advances in Organic Synthesis
Advanced Nanocatalysis for Organic Synthesis and Electroanalysis
Advances in Organic Synthesis
Advances in Organic Synthesis
22