Potential Fatty Acid as Antibacterial Agent Against Oral Bacteria of Streptococcus mutans and Streptococcus sanguinis from Basil (Ocimum americanum): In vitro and In silico Studies

Abstract

Background: Streptococcus mutans and Streptococcus sanguinis are Gram-positive bacteria that cause dental caries. The MurA enzyme is a catalyst in the formation of peptidoglycan in the bacterial cell wall making it ideal as an antibacterial target. Basil (Ocimum americanum) is an edible plant medicine that diverse, very widely spreading, used as herbal for a long time, and it was reported to have pharmacology effect as antibacterial activity. The purpose of this study is to identify antibacterial compounds from O. americanum and analyze their inhibition activity to the MurA enzyme. Methods: Fresh leaves from O. americanum extracted with n-hexane and purified by a combination of column chromatography on normal and reverse phase together with guided by in vitro bioactivity assay against S. mutans ATCC 25175 and S. sanguinis ATCC 10556, respectively, while in silico molecular docking simulation of lauric acid (1) using PyRx 0.8. Results: The structure determination of antibacterial compound by spectroscopic methods resulted in an active compound 1 as lauric acid. The in vitro evaluation of antibacterial activity compound 1 showed the MIC and MBC of 78.13 & 156.3 ppm and 1250 & 2500 ppm against S. sanguinis and in S. mutans, respectively. Further analysis in silico evaluation as MurA Enzyme inhibitor, lauric acid (1) has a binding affinity of -5.2 Kcal/mol those higher than fosfomycin. Conclusion: The lauric acid has potency as a new natural antibacterial agent through the MurA inhibition in bacterial cell wall biosynthesis.

Predominance of non-Streptococcus mutans bacteria in dental biofilm and its relation to caries progression

“…Meric and colleagues reported similar frequencies of S. mutans, and S. sanguinis among caries and caries free groups of subjects ( Meriç et al, 2020 ). Furthermore, S. sanguinis was reported for the pathogenesis of caries ( Herdiyati et al, 2021 , Kurnia et al, 2020 ), and infective endocarditis ( Martini et al, 2020 ). In the present study, S. mutans was not identified in any of the 40 individuals.…”

Effectiveness and Anticancer Activity of a Novel Phenolic Compound from Garcinia porrecta Against the MCF-7 Breast Cancer Cell Line in vitro and in silico

“…Hydrophilic interactions, such as hydrogen bonds, play an important role in determining binding affinity value and affect the stability of ligand-protein complexes owing to stronger interactions. 34 , 35 …”

“…Hydrophilic interactions, such as hydrogen bonds, play an important role in determining binding affinity value and affect the stability of ligandprotein complexes owing to stronger interactions. 34,35 In experiments on ligand-ER-α complex formation, compound 2 had the highest binding affinity, suggesting efficient occupation of the active ER-α pocket. Compound 2 displayed more hydrophilic bonds (Glu353, Gly521, His524, Phe404, Ala350, Leu387, Leu391, Leu525) relative to compound 1 and tamoxifen.…”

Insect Derived Lauric Acid as Promising Alternative Strategy to Antibiotics in the Antimicrobial Resistance Scenario

“…and other non-QS targets (proteins involved in efflux pumps, oxidative stress, and ergosterol synthesis) make FAs a new paradigm to cope with drug-resistant bacteria (Kumar et al, 2020). Of these, medium-chain fatty acids (MCFAs) and their monoglycerides have a broad spectrum of microbicidal activity against a wide range of pathogens both in vitro and in vivo, including multidrug-resistant bacteria, enveloped viruses, algae, fungi, and protozoa (Bergsson et al, 2001;Hilmarsson et al, 2007;Yoon et al, 2018;Zhou et al, 2019;Heriyati et al, 2020;Welch et al, 2020).…”

“…Furthermore, MCFAs can directly inhibit membrane enzymes such as glucosyltransferase and also target other membrane-associated proteins (Yoon et al, 2018). In some in silico studies, LA has been proposed as a natural antibacterial agent via inhibiting the MurA enzyme, which is involved in bacterial cell wall biosynthesis (Heriyati et al, 2020). Galbraith and Miller (1973a,b) reported that the activity of LA was decreased by Mg 2+ and Ca 2+ ions and increased by lower pH, suggesting that the uptake of LA is modulated by physico-chemical properties of both the acid and the bacterial surface.…”