TY - JOUR
T1 - Theoretical Study at the Molecular Mechanics Level of the Interaction of Tetracycline and Chloramphenicol with the Antibiotic Receptors Present in Enterococcus faecalis (Q839F7) and Streptococcus mutans (Q8DS20)
AU - Figueroa-Banda, Rufo Alberto
AU - Figueroa-Castellanos, Kimberly Francis
AU - Chávez-Oblitas, Edith Angelica
AU - Guillen-Nuñez, María Elena
AU - Ayqui-Cueva, Flor
AU - Del-Carpio-M, Bruno A.
AU - Bellido-Vallejo, Karen L.
AU - Gómez, Badhin
N1 - Publisher Copyright:
© 2022 by the authors.
PY - 2022/11
Y1 - 2022/11
N2 - When dental infections occur, various types of antibiotics are used to combat them. The most common antibiotics to be used are tetracycline and chloramphenicol; likewise, the most common bacteria in dental infections are Enterococcus faecalis and Streptococcus mutans. In the present work, we have studied by molecular mechanics methods the interactions of the ribosomal proteins L16 present in Enterococcus faecalis and Streptococcus mutans, identified with UNIPROT code Q839F7 and Q8DS20, respectively. We evaluated the interactions between Q839F7 and Q8DS20 with tetracycline and chloramphenicol antibiotics. We found that the interaction between Enterococcus faecalis (Q839F7) is much more favorable when treated with chloramphenicol. In contrast, the interaction with tetracycline is favored in the case of Q8DS20 present in Streptococcus mutans. This suggests that the treatment should be differentiated depending on the infection level and the presence of some of these bacteria.
AB - When dental infections occur, various types of antibiotics are used to combat them. The most common antibiotics to be used are tetracycline and chloramphenicol; likewise, the most common bacteria in dental infections are Enterococcus faecalis and Streptococcus mutans. In the present work, we have studied by molecular mechanics methods the interactions of the ribosomal proteins L16 present in Enterococcus faecalis and Streptococcus mutans, identified with UNIPROT code Q839F7 and Q8DS20, respectively. We evaluated the interactions between Q839F7 and Q8DS20 with tetracycline and chloramphenicol antibiotics. We found that the interaction between Enterococcus faecalis (Q839F7) is much more favorable when treated with chloramphenicol. In contrast, the interaction with tetracycline is favored in the case of Q8DS20 present in Streptococcus mutans. This suggests that the treatment should be differentiated depending on the infection level and the presence of some of these bacteria.
KW - APBS
KW - Enterococcus faecalis
KW - MMPBSA
KW - Streptococcus mutans
KW - antibiotic
KW - molecular dynamic simulation
KW - periodontitis
UR - http://www.scopus.com/inward/record.url?scp=85149469015&partnerID=8YFLogxK
U2 - 10.3390/antibiotics11111640
DO - 10.3390/antibiotics11111640
M3 - Article
AN - SCOPUS:85149469015
SN - 2079-6382
VL - 11
JO - Antibiotics
JF - Antibiotics
IS - 11
M1 - 1640
ER -