Tag Archives: supramolecular structures

Calculations of supramolecular structures of peptidylboronic acid (bortezomib) with ABO blood system antigen

A. D. Kustovska1, S. V. Prymachenko1, Zh. M. Minchenko2,
T. F. Liubarets2, O. O. Dmytrenko2

1National Aviation University, Kyiv, Ukraine;
e-mail: akust@bigmir.net;
2SI “National Research Center for Radiation Medicine of National Academy of Medical Sciences of Ukraine”, Kyiv, Ukraine

Received: 08 April 2019; Accepted: 17 May 2019

Peptidylboronic acids have recently become widespread as effective drugs for cancer treatment. Howe­ver, the use of these drugs is often accompanied by negative side effects associated with the phenotypic affiliation to the ABO system. Therefore, it is important to determine the role of pharmaco-chemical charac­teristics of antigens of ABO system and therapeutic agents (for example, bortezomib) in the selection of individualized therapies for patients with chronic lymphoproliferative neoplasms. The expediency and efficiency of bortezomib use for patients with plasma cell myeloma depen­ding on the phenotype affiliation to the ABO system were evaluated. Efficiency of plasma cell myeloma therapy was analyzed in 104 patients who received treatment according to clinical protocols. Dependence of the duration of remission in performance of standard polychemotherapy was researched. Calculation of energy parameters and geomet­ry of probable supramolecular structures of peptidylboronic (bortezomib) and boric acids with antigens of the ABO blood system was performed in the HyperChem 8.07 software package. It was demonstrated that the ability of antigens to form supramolecular complexes with bortezomib varies in the series: B1 >> 01 > A1, which is in line with the results of clinical researches. It was assumed that in case of patients with В blood group secondary process (interaction of bortezomib with carbohydrate antigen) is energetically more beneficial than the main process (inhibition of proteasome), while for patients with O and A groups, equilibrium is shifted toward the main reaction, which results in the therapeutic effect of the drug.