The dissertation is aimed at a systematic study of the biological activity of S-esters
of 4-acylaminobenzenethiosulfonic acids using in silico methods to identify and evaluate
their potential as promising antimicrobial and antiviral agents with the aim of further
developing a synthesis strategy and introducing innovative drugs for the treatment of
infectious diseases into industrial production.
The literature data on the current state of the problem of antibiotic resistance, the
prospects for the search for potential antiviral and antimicrobial substances among S-
esters of thiosulfonic acids, and the possibilities of using in silico methods to accelerate
drug development have been processed and systematized. It has been shown that the
problem of microbial and viral resistance has become extremely urgent and threatens
global health. Excessive and careless use of antibiotics leads to the rapid development of
resistance, complicating the treatment of infectious diseases and increasing mortality risk
among the population. To effectively combat this phenomenon, it is crucial to focus on
the development of new drugs capable of effectively fighting both viral and bacterial
infections. In this context, significant attention is drawn to research in the field of
obtaining and systematically studying thiosulfoesters and the possibilities of using
modern in silico methods to accelerate the drug development process. These research
directions open up broad prospects for solving the most pressing problems of modern
medicine and have the potential to create effective treatment options that will protect the
population from dangerous infections.
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A conceptual design for a study dedicated to the targeted search for promising
antimicrobial and antiviral substances among S-esters of 4-
acylaminobenzenethiosulfonic acids has been outlined.
The selection of compounds has been justified, and a library of S-esters of 4-
acylaminobenzenethiosulfonic acids has been created for virtual screening of biological
activity.
A market analysis of systemic anti-infective drugs registered in Ukraine has been
conducted, focusing on the segments of antibacterial (group J01), antifungal (group J02),
and antiviral (group J05) medications.
The largest subgroups of drugs by the number of registered names have been
identified. In the antibacterial drugs group, the most common representative is
Levofloxacin (J01MA12), with 109 names, accounting for 10.28 % of the total number
of registered antibacterial drugs. Among antifungal drugs, the most common is
Fluconazole, with 78 names, which constitutes 61 % of the total. Among antiviral drugs,
Acyclovir (J05AB01) is the leading substance, with 26 names, representing 9.38 % of the
total number of drugs.
The distribution of registered antimicrobial and antiviral drugs by country of
manufacture has been studied. It has been established that in the antibacterial drugs group
(J01), Ukrainian drugs account for 30.2 % of the total number of registered names,
ranking second after Indian drugs (32.7 %). In the antifungal drugs group (J02), Ukrainian
drugs constitute 27.3 % of the total number of registered names, also ranking second after
Indian drugs (31.1 %). In the antiviral drugs group (J05), Ukrainian drugs make up 19.9 %
of the total number of registered names, again ranking second after Indian drugs (44.2 %).
Therefore, the dominance of Indian drugs in all three analyzed groups indicates a need to
expand domestic production and introduce new domestic drugs to the market.
Domestic manufacturers that produce the most names of drugs according to the
State Register of Medicines have been identified. In the antibacterial drugs group (J01),
Kyivmedpreparat leads with a 23 % share of domestic drug names. In the antifungal drugs
