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A QSAR STUDY ON THIOUREA DERIVATIVES – NEW APPROACHES IN DRUG DEVELOPMENT

ROXANA ROMAN 1, LUCIA PINTILIE 2*, DIANA NUȚĂ 1, CARMEN LIMBAN 1

1Department of Pharmaceutical Chemistry, Faculty of Pharmacy, “Carol Davila” University of Medicine and Pharmacy, 6
Traian Vuia Street, 020956 Bucharest, Romania
2National Institute of Chemical-Pharmaceutical Research & Development, 112 Vitan Avenue, 031299 Bucharest, Romania

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The ongoing resistance to antibiotics constraints the research activity to design and develop new molecules, intended to overcome these necessities. In the current study, a series of organic compounds have been investigated for their properties, correlated to the potential of crossing biological membranes, consequently targeting a specific protein that would trigger an infectious disease in the body. On the matter, quantitative structure – activity relationship (QSAR) properties and molecular docking studies have been carried out for seven thiourea derivatives. The highly promising compounds have been nominated by software that ascertain if a specific molecule has an intended behaviour in the internal medium of the organism.