EventsMOL2NET'20, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 6th ed.
Published
with-doi10.3390/mol2net-06-06892 (registering DOI)
This submission belongs to the session 04. NICEXSM-06: North-Ibero-American Congress on Exp. and Simul. Methods, Valencia, Bilbao, Spain-Miami, USA, 2020 of the event MOL2NET'20, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 6th ed.
Published date
01 Aug, 2020
Citation
Estela Fernandes e Silva, Paula Fernandes e Silva, Timóteo Matthies Rico, Juliana Silva Lemões, Photosynthetic pigment on dental health: An in silico approach, in Proceedings of MOL2NET'20, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 6th ed., 30 January 2020–30 January 2021, MDPI: Basel, Switzerland, doi: 10.3390/mol2net-06-06892
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Photosynthetic pigment on dental health: An in silico approach

Juliana Silva Lemões 4
1. Doctor in Physiological Sciences by Universidade Federal do Rio Grande - FURG, Rio Grande (Rio Grande do Sul), Brasil
2. Dentist by Universidade Federal de Pelotas, Pelotas (Rio Grande do Sul), Brasil
3. Doctor in Health Sciences by Universidade Federal do Rio Grande - FURG, Professor at Instituto-Federal-Sul-Riograndense, Jaguarão (Rio Grande do Sul), Brasil
4. Doctor in Chemistry by Universidade Federal do Rio Grande do Sul, Professor at Universidade Federal do Pampa, Bagé (Rio Grande do Sul), Brasil
Abstract

The Streptococcus mutans is one of the main etiologic agents of multifactorial disease of caries. Adhesins like the antigen I / II are proteins of S. mutans and play an important role in caries lesions, even being a target for anti-cavity vaccines. C-phycocyanin (C-PC) is a blue-green heteroprotein which acts as a photosynthetic pigment for cyanobacteria such as Spirulina (Arthrospira) platensis and it has antibacterial effects. Thus, the C-PC could block the adhesins and represent an inhibition the caries process. Verifying the possible docking beween C-PC and adhesion protein antigen I/II of S. mutans in the main goal of this study. We used the PRISM web server (algorithm based on structural matching) for to check the interaction of the C-PC in its complete form (Full) or F chain with adhesion protein (antigen I / II) of S. mutans. The Full C-PC did not interact with the adhesion, while the F chain interacted with a binding energy of -17.12establishing 01 Hydrogen bridge and 139 varied connections (polar, nonpolar, favorable and unfavorable). Thus, the interaction of F chain with adhesion protein of S. mutans indicates a possible anticaries role of C-PC, encouraging continuity of studies in this area.

Keywords
: adhesins
docking
caries
Streptococcus mutans.
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