Journal of Pharmaceutical Microbiology

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Molecular Docking

In the field of molecular signaling, docking is a method that predicts the selective tendencies of one to two mocules when bound to one another to form a stable structure. Optimization can be used to predict the strength of an interaction or a cohesion reaction between two molecules using, for example, scoring functions.

Interactions between the appropriate biological molecules such as proteins, peptides, nucleic acids, carbohydrates, and lipids play a major role in signal transduction. In addition, the relative orientation of the two interacting partners may affect the type of signal produced (e.g. agonism vs antagonism). Therefore, docking is useful in predicting the strength and type of signal produced.

Molecular docking is one of the most commonly used methods for drug-based drug delivery, due to its ability to predict binding-affinity of molecules ligands that are in the proper binding site. Exposure to binding behavior plays a major role in the logical construction of drugs and in clarifying basic biochemical processes.

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