Final answer:
In silico drug discovery involves identifying molecular targets and designing molecules to modulate biological reactions. Utilizing computational chemistry and software predicts pharmacokinetic properties, thus accelerating drug development. After successful in vitro testing, drugs undergo in vivo clinical trials before FDA approval.
Step-by-step explanation:
The development of drugs is a complex process that begins with the identification of molecular targets. Once researchers identify the target molecule, such as HMG-CoA reductase in the case of statins, they must understand how this target functions inside the cell and the pathophysiological process of the disease. The next stage is drug design, where chemists and biologists collaborate to create and synthesize molecules that can modulate a specific biological reaction, potentially blocking or activating it.
During the initial stages, high-throughput screening (HTS) assays are utilized, allowing for large numbers of compounds to be tested rapidly. Advances in computational chemistry and in silico models, using software like Meteor®, MetabolExpert®, and GastroPlus®, further aid in predicting pharmacokinetic properties and optimizing compounds before synthesis and testing. However, even after successful in vitro experiments, any potential drug must go through rigorous in vivo clinical trials to determine efficacy, safety, and side effects before seeking approval from regulatory authorities like the FDA.
In silico drug discovery represents an intersection of disciplines – mainly biology and chemistry – where computational techniques significantly speed up the drug discovery process and improve the predictability and efficiency of developing new pharmaceuticals.