Abstract
The body of humans and animals contains large quantities of urea, which is believed to serve as an excretory agent for removing excess protein in it. With regard to the toxicity of this substance in the body there is no clarity, whether it is a uremic toxin, or whether this substance is not toxic. It is possible that the role of urea in the body is connected with its metabolites. It is known that there are substances that are derivatives of urea, which exhibit high biological activity. Instance, the well-known carbamide derivative, hydroxycarbamide has gained recognition as an important anticancer drug and an effective promising therapeutic agent for sickle cell anemia. The discovery of new substances and the establishment of their properties is an important task of science, both theoretical and practical. Urea can be a source of new substances, urea derivatives with interesting properties. The aim of the work was, on the basis of quantum mechanical studies, to find out the fundamental possibility of the existence of other urea-derived substances and some other substances of a similar nature and to carry out a comparative analysis of their properties in terms of the interaction of their molecules with water molecules and with each other. In this work, the possibility of the existence of many substances that are derivatives of urea was discovered. Regarding the new urea-derived substances discovered by us, they can be divided into two groups of substances, substances containing a carbohydroxyl group in their composition and substances not containing it. Among the discovered new substances containing a karbohydroxyl group, a substance was found that is an isomer of urea. Based on the quantum mechanical approach, a comparative analysis of the structure, charge and energy properties of carbamide, hydroxycarbamide, and a number of new virtually synthesized carbamide derivatives is carried out. The work shows how the molecules of these substances interact with each other and with water molecules. Numerical values of geometric, charge and energy characteristics of new substances are given and the results obtained are discussed.
Highlights
The world of substances around us, in particular, the organic world, is plural and diverse and, apparently, not all of them are known to science and about their nature, and, in general, about their existence
In relation to known urea-derived substances, their characteristic parameters are given in the work, in particular for hydroxycarbamide
Regarding the new urea-derived substances discovered by us, they can be divided into two groups of substances, substances containing a carbohydroxyl group in their composition and substances not containing it
Summary
The world of substances around us, in particular, the organic world, is plural and diverse and, apparently, not all of them are known to science and about their nature, and, in general, about their existence. The first organic matter from inorganic substances was obtained in 1824 This substance was oxalic acid that presented in some plants. It was obtained by synthesizing from inorganic substances by Wohler, a student of the outstanding chemist Berzelius. In organisms the processes of vital activity are accompanied by the accumulation of waste products, the socalled uremic toxins, they can disrupt the regulation of normal cellular functions, especially when there are many of them. These toxins can be divided into relatively small molecules (
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