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Integraon of 3D Into Pharmacy Educaon via Molecular Docking and Faraz Vatan, Simon Wang College of Pharmacy, Howard University, Washington DC, 20059

BACKGROUND OVERALL GAME BUILDING PROCESS CONCLUSIONS A game engine is the soware environment that provides The integraon of the game engine Unity 3D allows modular demonstraon of molecular basics with ease users with the necessary set of features to games • Drug-ligand interacon is chosen for consoles, mobile devices, and personal computers. It can STEP 1 and with lile to no cost. The intractability of the game be used to create three-dimensional, two-dimensional, allows user to best grasp the purpose of demonstraons. virtual reality, augmented reality, and mixed reality games, In addion, the game product can be accessed in • Drug-ligand interacon is integrated to Unity plaorms ranging from mobile phones to web. This as well as simulaons and other applicaons. Among the STEP 2 most popular and powerful game engines, we selected method can be best accomplished in the classroom Unity 3D to facilitate the process of structure-based drug sengs where the instructors can a model game for discovery. As of 2018, Unity had been used to create • Drug-ligand interacon is simulated as best their course where the students can then interact with as downloadables. approximately half of the mobile games on the market. It is STEP 3 as possible a cross-plaorm engine that supports building games for more than 25 different plaorms, including iOS, Android, Windows, Mac, , PlayStaon, , etc. • Simulaon is built, tested and distributed STEP 4 FUTURE WORKS •Implementaon of in-house scoring funcon to assess Unity engine has helped Disney Television launch animaon the docking process movie series in 2018 as well as to create full-scale models of •Expansion to other drug binding sites such as: synapses, new vehicles in virtual reality, build virtual assembly lines • Molecular demonstraon is performed STEP 5 proteins, etc. for automakers. Herein, we are exploring the applicability of •Automac integraon of model of best fit Unity 3D to Molecular Docking calculaons for drug •Enhancement of VR funconalies discovery purpose. Docking is a method to predict the preferred orientaon of small molecule to the appropriate target binding site of biological macromolecules such as REFERENCES proteins, pepdes, nucleic acids, carbohydrates, and lipids. 1. Pea, R. (1993). The collaborave visualizaon project. So far, we are able to build the square planar coordinaon Communicaon of the ACM, 36(5), 60-63. complex of Cisplan, i.e. the cis-[Pt(NH3)2Cl2] in Unity 3D, 2. Pea, R.D., &Gomez, L. (1992). Distributed mulmedia and simulated its associaon with the N-heterocyclic bases learning environments: Why and how. Interacve Learning on DNA, the guanine preferenally. Environments, 2(2), 73-109. 4. Charactrizaon of Human Papilloma Virus VLP Type 11 (2019). Naonal Library of Medicine, Naonal Instute of Figure 2. A 3D structure of a HPV obtained Health. Figure 1. A real-life scale of cisplan from the NIH NLM website to be METHODS aempng to dock onto DNA implemented into the future project 1. Unity v5.2.1 Hobbyist version is downloaded from hps:// ACKNOWLEDGEMENTS unity3d.com/get-unity/download and installed on mid 2012 UNITY 3D AND ITS SIGNIFICANCE We are also thankful to the support by District of Columbia MacBook Pro. Unity 3D game engine is obtainable in either the Hobbyist Developmental Center for AIDS Research (P30AI087714), 2. 3D game world environment is created within Unity v2018.4.3 version for free or the Professional version with paid Naonal Instutes of Health Administrave Supplements 3. Model of Cisplan and DNA are created in-house via subscripon. The capability of Unity 3D allows for modular for U.S.-China Biomedical Collaborave Research Photoshop C7 or Unity v2018.4.3 game designs such that the intractables can easily be switched (5P30A10877714-02), the Naonal Instute on Minority 6. Coding for molecule movements and environmental in order to accommodate the given topics designed in cross- Health and Health Disparies of the Naonal Instutes of interacons are done in the C# language within the game plaorms. Furthermore, ease of creang 3D assets coupled Health under Award Number G12MD007597. We are also engine with wide-web availability with minimal computer coding grateful to the support of Dean Tofade of College of 7. Game is then built for Windows, iOS, and Web versions knowledge can transform basic learning environments into the Pharmacy. 9. built for various plaorms next generaon mulmedia with great scienfic undestanng.