SILPAKORN UNIVERSITY SCIENCE AND TECHNOLOGY JOURNAL, Vol 4, No 2 (2010)

Computer Simulation for Studying Complexation between a Model Drug and a Model Protein

Wibul Wongpoowarak, Nimit Worakul, Wiwat Pichayakorn, Payom Wongpoowarak, Prapaporn Boonme

Department of Pharmaceutical Technology, Faculty of Pharmaceutical Sciences, Prince of Songkla University, Hat-Yai, Songkhla

Department of Pharmaceutical Technology, Faculty of Pharmaceutical Sciences, Prince of Songkla University, Hat-Yai, Songkhla

Department of Pharmaceutical Technology, Faculty of Pharmaceutical Sciences, Prince of Songkla University, Hat-Yai, Songkhla

Department of Clinical Pharmacy, Faculty of Pharmaceutical Sciences, Prince of Songkla University, Hat-Yai, Songkhla

Department of Pharmaceutical Technology, Faculty of Pharmaceutical Sciences, Prince of Songkla University, Hat-Yai, Songkhla


Abstract


Computer simulation is one of effective tools for instructors to illustrate complexation or binding interaction between a model drug and a model serum protein in its entire intricacy since the students can be economically exposed to a large variety of results of laboratory design within a relative short period of time. The program of computer simulation was created with Microsoft AccessTM. In this simulation program, theoretical parameters such as stoichiometric ratio and binding constants were assigned. After users defined initial concentrations for drug and protein, the program would calculate free drug after complexation and adding noise with zero mean and standard deviation according to the user-defined relative standard deviation. The noise added would make the dataset to be more realistic. Users could use this obtained data to further create a Scatchard plot. The fourth-year pharmaceutical care students of the Faculty of Pharmaceutical Sciences, Prince of Songkla University used this program in studying “complexation” topic. Satisfaction of the students on the instruction using this computer simulation program was determined using a five-choice questionnaire. The results indicated that this learning method was useful and satisfactory. Most responses on the satisfaction with the study via this simulation program were averagely rated above 3 from 5.

Key Words: Computer simulation; Complexation; Protein binding

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