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

Abstract

Computer simulation is one of effective tools for instructors to illustrate complexation or bindinginteraction between a model drug and a model serum protein in its entire intricacy since the students can beeconomically 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 definedinitial concentrations for drug and protein, the program would calculate free drug after complexation andadding 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 furthercreate a Scatchard plot. The fourth-year pharmaceutical care students of the Faculty of PharmaceuticalSciences, Prince of Songkla University used this program in studying “complexation” topic. Satisfaction ofthe students on the instruction using this computer simulation program was determined using a five-choicequestionnaire. The results indicated that this learning method was useful and satisfactory. Most responseson the satisfaction with the study via this simulation program were averagely rated above 3 from 5.