ABSTRACT
Nucleopeptides often show interesting properties of molecular binding that render them good candidates for development of innovative drugs for anticancer and antiviral therapies. In this work we present results of computer modeling of interactions between the molecules of hexathymine nucleopeptide (T6) and poly rA RNA (A18). The results of geometry optimization calculated using Hyperchem software and our own computer program for molecular docking show that molecules establish stable complexes due to the complementary-nucleobase interaction and the electrostatic interaction between the negative phosphate group of poly rA and the positively-charged residues present in the cationic nucleopeptide structure. Computer modeling makes it possible to find the optimal binding configuration of the molecules of a nucleopeptide and poly rA RNA and to estimate the binding energy between the molecules.
Subject(s)
Peptide Nucleic Acids/chemistry , Biomedical Technology , Computer Simulation , Oligopeptides/chemistry , Poly A/chemistry , RNA/chemistry , Stereoisomerism , Thymine/chemistryABSTRACT
Pilot epidemiology survey has been conducted with the aim to study the effect of occupational factors on workers in the Zestafoni Manganese Processing Plant. Overall 102 workers have been surveyed. They were selected from the list circulating in the plant ambulance. Selected workers have been surveyed through a standard questionnaire. The survey revealed that prevalence of such diseases as Radiculitis, hypertension, bronchitis, gastritis, and ulcer, ocular and nasal-pharyngeal diseases are high among the workers of the Zestafoni Processing Plant. Study results have shown direct correlation between development of diseases and distance residence from the plant. Prevalence of hypertension, ocular and nasal-pharyngeal diseases, bronchitis was higher among workers lived within distance of 2-5 kilometers from the plant. Positive correlation revealed between length of job and prevalence of bronchitis, ocular diseases, Radiculitis, hypertension, cardiac diseases and gastritis. Among plant workers revealed high prevalence of symptoms characterized the central nervous system disorders such as sleep disorder, insomnia, backache, walking disorders. The results proven correlation between occupational factors and diseases and different symptoms.
