Journal of Science and Arts Volume 23, Issue 4, pp. 1009-1018, 2023 https://doi.org/10.46939/J.Sci.Arts-23.4-b03 ORIGINAL PAPER INTERACTION BETWEEN FOOD SUPPLEMENTS AND DRUGS USING MOLECULAR DOCKING MANUEL AMZOIU 1 , ALEXANDRU CHELU 2 , SOFIA POPESCU 3 , EMILIA AMZOIU 1* , MARIA CIOCILTEU 1 _________________________________________________ Manuscript received: 09.11.2023; Accepted paper: 06.12.20223; Published online: 30.12.2023. Abstract. This study aims to reveal significant interactions between dietary supplements and pharmaceuticals (Imatinib) with the CYP3A4 receptor using the HEX 8.0 docking program. Binding energy serves as a metric for gauging the strength and stability of these interactions. In the case of Imatinib, a robust connection with CYP3A4 is observed, while associations with Naringin and Naringenin result in decreased binding energy, signifying heightened drug metabolism in the presence of these supplements. These findings underscore the critical importance of comprehending food-drug interactions and the potential adjustments in systemic bioavailability and drug pharmacokinetics. Interactions with CYP3A4 can significantly impact treatment efficacy and safety. Factors such as dietary habits and supplement intake can influence these interactions. Consequently, a comprehensive understanding and vigilant monitoring of these dynamics are imperative to ensure appropriate and safe therapeutic regimens. Keywords: Molecular docking; imatinib; naringin; naringenin; hyperforin. 1. INTRODUCTION In the realm of drug development, one often overlooked but critical factor that can significantly impact the success of new drug candidates is the role of food. The interaction between dietary substances and oral drugs presents a formidable challenge in the pharmaceutical world [1]. This challenge arises from a complex interplay of factors, ranging from the intrinsic characteristics of the drug itself to the dynamic changes occurring in the gastrointestinal tract post-meal consumption [2]. Understanding the influence of dietary components on drug disposition has become an essential pursuit in modern pharmacology. It involves examining how various elements in our diet can affect crucial processes, such as the activity of intestinal enzymes, conjugation reactions, and the function of transport proteins. These dietary substances, often derived from botanical sources, have shown their potential to enhance or hinder drug absorption and distribution in laboratory settings. However, translating these findings from the lab bench to the patient's bedside has proven to be challenging. To determine how dietary substances alter pharmacokinetics (PK) and 1 University of Medicine and Pharmacy of Craiova, Faculty of Pharmacy, 200349 Craiova, Romania. * Corresponding author: emanro2002@yahoo.com. 2 University of Medicine and Pharmacy of Craiova, Faculty of Medicine, 200349 Craiova, Romania. E-mail: mihai.alex170@yahoo.com. 3 Banat's University of Agriculture Science and Veterinary Medicine, Timisoara, Romania. E-mail: sofiapopescu@yahoo.com.