![]() ![]() In analogy to the rule of five, it has been proposed that ideal fragments should follow the 'rule of three' ( molecular weight < 300, ClogP < 3, the number of hydrogen bond donors and acceptors each should be < 3 and the number of rotatable bonds should be < 3). 3 Advantages over traditional libraries.Multitarget inhibitors are more appropriate for addressing the complexity of AD and may provide new drugs for controlling the multifactorial nature of AD, stopping its progression. Neurodegenerative diseases like Alzheimer’s (AD) and Parkinson’s, among others, also show rather complex etiopathologies. This type of drug design opens up new polypharmacological avenues for discovering innovative and effective therapies. The multitarget inhibitor approach is based on designing an inhibitor for the multiple targets. This methodology could help to design multitarget drugs for multiple diseases. FBLD is a technique being used in research for discovering novel potent inhibitors. In contrast, in the early phase of FBLD, libraries with a few thousand compounds with molecular weights of around 200 Da may be screened, and millimolar affinities can be considered useful. In HTS, libraries with up to millions of compounds, with molecular weights of around 500 Da, are screened, and nanomolar binding affinities are sought. FBLD can be compared with high-throughput screening (HTS). It is based on identifying small chemical fragments, which may bind only weakly to the biological target, and then growing them or combining them to produce a lead with a higher affinity. ![]() ![]() Fragments are small organic molecules which are small in size and low in molecular weight. Fragment-based lead discovery ( FBLD) also known as fragment-based drug discovery ( FBDD) is a method used for finding lead compounds as part of the drug discovery process. ![]()
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