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Open Access Articles On Structure-Based Drug Design

Structure-based drug design is that the design and optimization of a chemical structure with the goal of identifying a compound suitable for clinical testing — a drug candidate. It is supported knowledge of the drug’s three-dimensional structure and the way its shape and charge cause it to interact with its biological target, ultimately eliciting a medical effect. Structure-based design starts from the idea that a drug molecule exerts its biological activity through specific binding to a macromolecular target receptor, usually a protein. In consequence, the biological function of this target protein is modulated and hopefully this process leads to the cure of the disease. Prerequisite for strong and selective target binding may be a perfect structural and chemical complementarity of ligand and receptor. The strategy of “structure-based design” comprises a spread of methods to get and optimize small molecule ligands that fit precisely into a depression at the surface of a protein where the actual function of the protein is usually carried out. Through perfect and high affinity binding the ligand modulates the function of the protein. The design process starts with the information that can be extracted from the shape and composition of the binding Pocket, estimates the properties a putative ligand must exhibit to be accommodated... 

High Impact List of Articles

Relevant Topics in Chemistry

Google Scholar citation report
Citations : 565

Organic Chemistry: An Indian Journal received 565 citations as per Google Scholar report

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