TY  - JOUR
T1  - Theoretical Model of Thiophene and Its Derivatives Interaction with BRCA-1
A1  - Lauro FigueroaValverde
A1  - RosasNexticapa Marcela
A1  - Magdalena AlvarezRamirez
A1  - Maria Lopez-Ramos
A1  - Virginia MateuArmand
A1  - HernandezVazquez Patricia
JF  - Asian journal of Current Research in Clinical Cancer
JO  - Asian J Curr Res Clin Cancer
SN  - 3062-4444
Y1  - 2024
VL  - 4
IS  - 2
DO  - 10.51847/rHeEej44vt
SP  - 43
EP  - 50
N2  - Research indicates a growing association between breast cancer and increased mortality rates across the globe. Various risk factors, such as obesity, high-fat diets, lack of physical exercise, alcohol use, oral contraceptive consumption, genetic mutations, and others, contribute to the development of breast cancer. In addition, some studies have pointed to the role of the breast cancer gene 1 (BRCA1) in breast cancer onset. The objective of this study was to investigate how thiophene (1) and its derivatives (2 to 25) interact with BRCA-1, using the 3pxb protein and niraparib as control compounds in a docking simulation. The results showed changes in the interaction of thiophene and its analogs with the 3pxb protein surface when compared to the niraparib drug. In addition, the inhibition constants (Ki) of thiophene-derivative-protein complexes for compounds 11, 13, 16, 18, and 20 showed similar patterns to that of niraparib. These findings suggest that these specific compounds may inhibit the activity of BRCA-1, which could lead to a reduction of breast cancer cell proliferation.
UR  - https://galaxypub.co/article/theoretical-model-of-thiophene-and-its-derivatives-interaction-with-brca-1-d86gvyfozfzqfzx
ER  -