Lead drug molecule

Polymorphism has received widespread general interest in pharmaceutical drug development because of its impact on the physicochemical properties of APIs and also because of their economic significance. It is considered mandatory to perform a thorough and exhaustive sohd-form screening of all possible polymorphs of a lead drug molecule at the preformulation stage. The purpose is to discover as many solid forms as possible and to identify the most suitable... 

We have discussed now a number of important molecular properties which are used to profile lead and drug molecules. In many cases, certain combinations of these properhes are correlated to some extent within a series of compounds. In particular, the size-related properties of MW, PSA, and log P show this tendency. One should be aware of this phenomenon and it should be taken into account when interpreting the underlying SAR data. However, there is no strong correlation between these three properties in general. When looking at a random subset of 10000 compounds from GVKBIO [9], we find that MW and log P are correlated with r=0.32, log P and PSA with r=0.35, and MW and PSA with r=0.61. 

Combinatorial chemistry was developed in the early 1990s with pharmaceutical industry being the main driver [3], The rapid screening of potential drug molecules against well-defined assays had quickly become one of the major tools for the identification of novel lead candidates. 

The next step is the screening of thousands of these compounds to hnd lead compounds or potential drug molecules that bind with receptors and modulate disease pathways. When an interaction happens, it is referred to as a hit. ... 

Recent comparisons of physicochemical properties of lead structures to drug molecules also enhanced the understanding of which criteria to apply for selecting a promising series. Those studies were reported by Oprea, Teague etal. [39-41] based on a dataset of 96 lead-drug pairs and a variety of calculated physicochemical properties. 

One of the limitations of the use of a proteinaceous carrier is the relative small number of drug molecules that can be conjugated without gross alterations in the structure of the protein. For example, extensive derivatization of an antibody carrier may lead to the loss of its... 

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