TY - JOUR
T1 - Synthesis and Theoretical Interaction of 3-(2-oxabicyclo [7.4.0]trideca-1(13),9,11-trien-7-yn-12-yloxy)-steroid Deriva-tive with 17β-hydroxysteroid Dehydrogenase Enzyme Surface
AU - Figueroa-Valverde, Lauro
AU - Rosas-Nexticapa, Marcela
AU - Montserrat, Melgarejo Gutierrez
AU - Díaz-Cedillo, Francisco
AU - López-Ramos, Maria
AU - Alvarez-Ramirez, Magdalena
AU - Mateu-Armad, Maria Virginia
AU - Gutierrez, Tomas Lopez
N1 - Publisher Copyright:
© 2022 by the authors.
PY - 2023/6/15
Y1 - 2023/6/15
N2 - There are several drugs to treat breast cancer; nevertheless, some of these drugs can produce some adverse effects such as bronchospasm, thinning, and angioedema. In the search for new therapeutic alternatives, some drugs have been developed using different reagents, which are expensive and difficult to handle. This study aimed to synthesize two steroid derivatives (compounds 4 and 5) from estrone using chemical strategies. Besides, a theoretical study was carried out to evaluate the interaction of 4 and 5 with 17β-hydroxysteroid dehydrogenase enzyme (6mnc protein). It is important to mention that estrone and fisetin were used as a control in a docking model. The results showed that compound 4 has a higher affinity by 6mnc protein surface compared with estrone, fisetin, and compound 5. In conclusion, these data suggest that compound 4 could be a good candidate for breast cancer treatment.
AB - There are several drugs to treat breast cancer; nevertheless, some of these drugs can produce some adverse effects such as bronchospasm, thinning, and angioedema. In the search for new therapeutic alternatives, some drugs have been developed using different reagents, which are expensive and difficult to handle. This study aimed to synthesize two steroid derivatives (compounds 4 and 5) from estrone using chemical strategies. Besides, a theoretical study was carried out to evaluate the interaction of 4 and 5 with 17β-hydroxysteroid dehydrogenase enzyme (6mnc protein). It is important to mention that estrone and fisetin were used as a control in a docking model. The results showed that compound 4 has a higher affinity by 6mnc protein surface compared with estrone, fisetin, and compound 5. In conclusion, these data suggest that compound 4 could be a good candidate for breast cancer treatment.
KW - docking
KW - estrone
KW - steroid
KW - synthesis
UR - http://www.scopus.com/inward/record.url?scp=85134180493&partnerID=8YFLogxK
U2 - 10.33263/BRIAC133.266
DO - 10.33263/BRIAC133.266
M3 - Artículo
AN - SCOPUS:85134180493
SN - 2069-5837
VL - 13
JO - Biointerface Research in Applied Chemistry
JF - Biointerface Research in Applied Chemistry
IS - 3
M1 - 266
ER -