Fruits of the Capsicum family or chilies, native to Mexico and Central America, exhibit highly diverse biological effects, including antioxidant, anti-inflammatory, and anticarcinogenic properties. This research used computational chemistry to determine the interactions between Capsaicin (CAP) and nitrogenous bases (NB). Parameterized semi-empirical model number 3 (SE-PM3) drew the corresponding molecules in the Hyperchem simulator. The geometry was optimized with the Polak Ribiere method, and the variables of HOMO-LUMO, Band gap (BG), Electronic potential (EP), and other properties were calculated. We found a small HOMO-LUMO energy gap of CAP molecules. This overlap leads us to conclude that CAP can form spheres and micelles. As a general conclusion, we found that CAP is not a mutagenic agent. Among 49 interactions, CAP showed its first interaction with uracil (CAP: U2), and therefore, it evidenced 19 more related interactions with freely formed NB.
In the last decade, the use of natural antimicrobial agents, like polyphenolic extracts in postharvest applications, has gained attention. However, a significant challenge lies ahead. Demonstrating these agents’ commercial-scale production feasibility, practical applications, and economic viability compared to traditional agrochemicals is crucial. This review focuses on the achievements and obstacles in using polyphenolic extracts from Mexican crops as natural antimicrobial agents against postharvest phytopathogens and foodborne microorganisms. A comprehensive knowledge of the molecular mechanisms in vitro and in vivo, as well as plant systems, is essential for better results. Toxicity assessments and an evaluation of the impact on fruit quality are needed. Incorporating coating and encapsulation techniques can enhance the effectiveness of extracts. An integrated approach is needed for efficient, cost-effective control throughout the preharvest, harvest, and postharvest phases. Successful commercialization depends on the cost–benefit analysis, infrastructure, raw materials, local needs, and technical facilities, among other factors. Additionally, incorporating strategies related to circular economy can improve plant residue utilization and enhance technological and marketing approaches.