TY - JOUR T1 - Molecular Interaction Between Boron Tracedrug UTX-51 Derivatives and Bovine Serum Albumin: Application to an Analytical Model of AGEs Destruction by Thermal Neutron Irradiation JF - Anticancer Research JO - Anticancer Res SP - 4017 LP - 4023 DO - 10.21873/anticanres.15898 VL - 42 IS - 8 AU - KAZUTO OHKURA AU - ATSUSHI TABATA AU - YOSHIHIRO UTO AU - HITOSHI HORI Y1 - 2022/08/01 UR - http://ar.iiarjournals.org/content/42/8/4017.abstract N2 - Background/Aim: Boron tracedrugs possess global molecular tracking abilities and localized destructive power. We investigated the molecular properties of synthesized boron tracedrugs, including UTX-51, and their interactions with the advanced glycation end-product (AGE)-related protein bovine serum albumin (BSA). Materials and Methods: A conformational analysis of the compounds used in the present study was performed using CAChe (Fujitsu Inc., Tokyo, Japan) and the degree of stereo-hydrophobicity of the conformers obtained was verified using Mopac (Fujitsu Inc.). The interactive properties of global minimum conformers of the derivatives tested with BSA were assessed using Molegro Virtual Docker (CLC bio., Aarhus, Denmark). Results: Among the compounds investigated, UTX-51 was confirmed to interact with BSA based on the formation of hydrogen bonds between BSA and UTX-51. Conclusion: UTX-51 is a promising boron tracedrug and can be used as the lead structure for developing a therapeutic agent for AGE-related diseases, including cancer. ER -