METHOD OF SELECTING ANTI-INFLAMMATORY AGENTS USING CALCULATED ENERGIES OF INTERACTION WITH ENZYMES CYCLOOXYGENASE 1 AND 2 Russian patent published in 2019 - IPC G01N33/15 

FIELD: medicine.

SUBSTANCE: invention refers to medicine and can be used for selecting anti-inflammatory agents, which enables to search for biologically active substances with anti-inflammatory action in the rows of anthranilic acid derivatives: N-substituted anthranilic acids (1^st row); hydrazides and amides of N-acylanthranilic acids (2^nd row); arylamides of N-acyl-M-alkenylanthranilic acids (3^rd row). Interaction energies on enzymes COX 1 and 2 are calculated: binding energy Be (Be_COX1 and Be_COX2) and intermolecular energy Ime (Ime_COX1 and Ime_COX2), then, using two- and four-parameter equations, predicting anti-inflammatory action (AIA_calc) and selecting compounds in which theoretically calculated AIA exceeds 30%, selected compounds are synthesized and experimental data are confirmed on laboratory animals (AIA_ex).

EFFECT: invention provides experimental screening studies on animals not on the entire volume of synthesized substances, but only those whose edema deceleration exceeds 30 %.

1 cl, 7 tbl