[The role of small molecules in metabolism regulation (review).]

The paper focuses on intermolecular interactions, particularly interactions between proteins and natural intermediates (small molecules). Molecules with a molecular weight of up to 1000 Da are free in cytoplasmic solution and form a pool of intermediates. Methods of computer modeling for prediction of protein-proteinaceous, protein-ligand, protein - a small molecule of interactions are presented. The program for modeling predicted biological activity in silico is Prediction of Activity Spectrum for Substances (PASS). In the Search Tool for Interacting Chemicals (STITCH) system, it is possible to identify potential protein interaction partners for small molecules. A review of the literature presents modern data on small molecules - metabolic switches, such as α-glycerophosphatedihydroxyacetone phosphate, pyruvate-lactate, oxaloacetate-malate. The molecules we study have different and multiple effects on metabolism and on intercellular interaction systems. Natural intermediates are at the intersection of metabolic pathways of metabolism of proteins, carbohydrates, lipids; they are signal molecules, participate in regulation of protein function, gene expression, enzyme activity. An increasing interest in deciphering protein-small molecule/metabolite interactions at the systemic level will lay a conceptual foundation that provides insight into complex epigenetic regulation under various environmental influences. A complete interplay, including a protein-small molecule interaction, will be crucial to eventually unraveling the complex relationships between the genotype and phenotype and to provide a deeper understanding of health and disease.