The issue of achieving controlled or targeted release of bioactive compounds with specific functional properties is a complex task that requires addressing several factors, including the type of bioactive, the nature of the delivery system, and the environmental conditions during transportation and storage. This paper deals with extensive reporting for the identification of original articles using Scopus and Google Scholar based on active packaging as a novel packaging technology that controls the release of antimicrobial agents encapsulated into carriers in the food packaging systems. For evidence-based search, the studies were extracted from 2015 to 2020 and screened using the 2020 Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA) statement. Following the review and screening of publications, 32 peer-reviewed articles were subjected to systematic analysis. The preliminary search indicated that the encapsulation of bioactives enhances their bioavailability and stability. From a theoretical viewpoint, mathematical models play an important role in understanding and predicting the release behavior of bioactives during transportation and storage, thus facilitating the development of new packaging material by a systematic approach. However, only a few studies could formulate parameters for mathematical models in order to achieve the specific release mechanism regulated for the quality and safety of foods. Therefore, this paper will cover all encapsulation approaches, active packaging, and mathematical modeling in the food industry into structural form and analyze the challenges faced by the complex nature of active packaging in real food systems.