Multi-target neural network model of anxiolytic activity of chemical compounds using correlation convolution of multiple docking energy spectra.

Anxiety disorders are one of the most common mental health pathologies in the world. They require searc h and development of novel effective pharmacologically active substances. Thus, the development of new approaches to the search for anxiolytic substances by artificial intelligence methods is an important area of modern bioinformatics and pharmacology.

Post-compression of powerful femtosecond pulses after second harmonic generation.

A proof-of-principle experiment of highly efficient (38%) second harmonic generation was implemented at a ∼1 / intensity of a 45 fs pulse in a composite nonlinear sample-a 1 mm KDP crystal glued onto a 1 mm fused silica substrate. The attenuated replica of the second harmonic pulse (455 nm) was compressed down to 28.6 fs by means of dispersive mirrors, with a significant reduction in both the wings and the far temporal contrast.

[Drug-induced cognitive impairment and dementia].

One of the reasons for the development or worsening of cognitive impairment (CI) may be the use of a number of drugs: non-steroidal anti-inflammatory drugs, antiarrhythmics, antidepressants, glucocorticosteroids, antitumor drugs and a number of others. The negative effect of drugs on cognitive functions is realized due to many pathophysiological mechanisms: disruption of hormonal regulation, decreased neuronal excitability, increased activity of gamma-aminobutyric acid receptors, decreased cerebral circulation, atrophic changes in the brain; many mechanisms have not been fully established. Risk factors for the development of drug-induced CIs are: old age or childhood, brain damage, chronic diseases, genetic factors, the patient's initial CI, polypharmacy, dose and duration of drug use, acute infectious diseases, metabolic disorders, dehydration, acute urinary retention, etc.

Computational Analysis of CD46 Protein Interaction with SARS-CoV-2 Structural Proteins: Elucidating a Putative Viral Entry Mechanism into Human Cells.

This study examines an unexplored aspect of SARS-CoV-2 entry into host cells, which is widely understood to occur via the viral spike (S) protein's interaction with human ACE2-associated proteins. While vaccines and inhibitors targeting this mechanism are in use, they may not offer complete protection against reinfection. Hence, we investigate putative receptors and their cofactors.