PT  - JOURNAL ARTICLE
AU  - KAZUTO OHKURA
AU  - ATSUSHI TABATA
AU  - YOSHIHIRO UTO
AU  - HITOSHI HORI
TI  - Molecular Interaction Between Boron Tracedrug UTX-51 Derivatives and Bovine Serum Albumin: Application to an Analytical Model of AGEs Destruction by Thermal Neutron Irradiation
AID  - 10.21873/anticanres.15898
DP  - 2022 Aug 01
TA  - Anticancer Research
PG  - 4017--4023
VI  - 42
IP  - 8
4099  - http://ar.iiarjournals.org/content/42/8/4017.short
4100  - http://ar.iiarjournals.org/content/42/8/4017.full
SO  - Anticancer Res2022 Aug 01; 42
AB  - 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.