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This document discusses the structure-based drug discovery targeting the bifunctional protein S-adenosylmethionine decarboxylase/ornithine decarboxylase in Plasmodium falciparum, aimed at developing new antimalarial therapies. It covers the significance of identifying new drug targets against malaria, the challenges of recombinant expression of the target enzymes, and the results from virtual screening of compound libraries for potential inhibitors.
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01
Identify the target protein associated with the disease.
02
Obtain the three-dimensional structure of the target protein using X-ray crystallography or NMR spectroscopy.
03
Use computer-aided drug design software to analyze the binding site of the protein.
04
Screen a library of potential drug candidates for binding to the target protein.
05
Optimize the lead compounds through structure-activity relationship (SAR) studies.
06
Conduct in vitro and in vivo testing to evaluate the efficacy and safety of the drug candidates.
07
Refine the drug design based on experimental results.

Who needs structure-based drug discovery against?

01
Pharmaceutical companies developing new medications.
02
Research institutions focused on drug discovery.
03
Biotech firms engaged in therapeutic research.
04
Academic labs conducting studies on protein-ligand interactions.
05
Regulatory agencies assessing new drug applications.
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Structure-based drug discovery is a method that utilizes the three-dimensional structures of biological targets to identify and design new drugs that bind effectively to those targets.
Typically, pharmaceutical companies and research institutions engaged in drug development are required to file their submissions related to structure-based drug discovery.
Filling out a structure-based drug discovery submission usually involves providing detailed information about the target structure, the compounds studied, experimental methods, and results obtained.
The purpose is to optimize the interaction between drug candidates and their biological targets to enhance efficacy and minimize side effects, thereby improving therapeutic outcomes.
Reports must include details on the target protein structure, ligand interactions, computational methods used, experimental results, and any relevant analyses found during the discovery process.
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