The study addresses the properties of ferulic acid (FA) and nicotinamide (NAM), which are widely explored due to their antioxidant and anti-inflammatory effects, beneficial for cosmetic and pharmaceutical applications. The objective was to assess the toxicity of these substances, both in silico and in vitro, to predict safety and efficacy. Using software such as Molinspiration© and admetSAR©, pharmacokinetic properties, including absorption and toxicity, were calculated. The in vitro analyses involved cytotoxicity assays in human erythrocytes and antibacterial activity tests. Results indicated that both compounds comply with Lipinski's “Rule of 5,” suggesting potential for adequate absorption. Regarding toxicity, FA and NAM showed low human toxicity, though FA exhibited considerable environmental toxicity. In vitro tests revealed that FA demonstrated bacteriostatic activity against Gram-positive bacteria and a dose-dependent effect on human erythrocytes, with higher hemolysis observed at high concentrations. Additionally, FA provided effective sun protection, reaching a sun protection factor (SPF) of 25.01 at all tested concentrations. It is concluded that FA and NAM have promising safety and efficacy profiles, with FA standing out as a potential photoprotective and antimicrobial agent, while NAM exhibits neuroprotective properties due to its permeability through the blood-brain barrier.
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