Resumen de A perspective on molecular docking approaches in the discovery and development of natural-based functional foods

Happy Kurnia Permatasari, Nurpudji Astuti Taslim, Msy Firyal Nadya Al Mahira, Nurlinah Amalia, Salsabila Farradisya, Ritma Ratri Ayunda Putri, Astri Arnamalia, Muhammad Agil Wijaya Faradis, Muhammad Yasir Yusuf, William Ben Gunawan, Reggie Surya, Nelly Mayulu, Trina Ekawati Tallei, Raymond R. Tjandrawinata, Rudy Kurniawan, Fahrul Nurkolis

• Backgrounds and Aims: Molecular docking represents a cutting-edge approach in the exploration and development of functional foods, also known as nutraceuticals. These innovative foods are enriched with bioactive components that, when consumed at safe and effective concentrations, have the potential to enhance health and prevent diseases. These bioactive constituents encompass a range of elements, including nutrients, dietary fibers, phytochemicals, probiotics, and other compounds. A food product earns the label “functional” when its consumption goes beyond mere nutrition, exerting positive effects on specific physiological processes, contributing to overall health, and mitigating chronic disease risk. In light of this, this article seeks to present a comprehensive exploration of the potential of molecular docking as a valuable approach in the discovery and development of functional foods.

  Results and Conclusions: Molecular docking represents a powerful computational approach within the realm of functional food research. This methodology enables the virtual screening of bioactive compounds found in food items. By employing molecular docking, researchers can simulate and assess the interactions between these bioactive compounds and specific molecular targets, negating the need for extensive laboratory experimentation. This innovative approach facilitates the identification of bioactive compounds within foods, shedding light on their mechanisms of action and their potential health benefits. Notably, this technology remains at the forefront of research, garnering significant attention and continual progress. Moreover, the intersection of technology and functional foods holds immense promise. The integration of technological advancements with functional foods has the potential to enhance consumer experiences and health outcomes. This synergy can be realized through digital platforms that offer personalized recommendations, enable health parameter tracking, and empower individuals to make informed dietary choices while monitoring their progress. In conclusion, the application of molecular docking simulations offers a forward-thinking strategy to accelerate the discovery and development of functional foods, providing valuable insights into their bioactive constituents’ potential interactions and health-promoting effects. The evolving landscape of technology integration further enhances the potential of functional foods to positively impact public health and well-being.