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Shape-based similarity searching detected additional phenylpyrazole and phenyltriazole fragments within the library, enriching the hit rate over random screening, and revealing molecular features required for activity.
These inhibitors were derived via systematically deconstructing a literature inhibitor to understand the basic pharmacophore and key molecular features required to inhibit the protein receptor.
To understand the overall architecture of the cGMP-binding domain and the molecular features required for cGMP binding, we determined crystal structures of the CNBD-A of human PKG I bound to cGMP, cAMP or in the absence of bound nucleotide.
Together, these results indicate that monocot and dicot MLO susceptibility genes are functionally conserved with respect to molecular features required for PM pathogenesis.
Because sites under selective pressure preferentially possess molecular features required for efficacy, inclusion of the site-conservation feature indirectly recovers some of the information that would otherwise be lost when informative molecular features are missing or imperfectly scored.
Future investigations characterizing the status of Rho GTPases in statin-sensitive cancer cells should enhance our understanding of the molecular features required for the non-canonical regulation of Rho GTPases across different cell types.
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Both the parent drug and drug metabolite apparently contain the steric and electronic features required to ensure molecular interactions with both immunologic receptors and stimulation of a T-cell response.
The application of high-throughput genomic technologies has revealed that individual breast tumors display a variety of molecular features that require more personalized approaches to treatment.
Molecular modeling thus strongly suggests that the HRM of aGPCR are SCR-like structural elements that lack the features required for the binding of peptide hormones by secretin receptor-like HRM (Parthier et al., 2007).
These are important features required in clinical diagnostics screens.
As can be concluded from such model-dependent predictions, obtaining correct contrast features requires either the use of accurate molecular simulation or more detailed analytical models that include detailed EDL structural properties.
More suggestions(15)
molecular carriers required
molecular interactions required
molecular players required
molecular adaptations required
molecular processes required
molecular components required
molecular signals required
molecular resources required
molecular structures required
molecular mechanisms required
molecular switches required
molecular tools required
molecular forces required
molecular pathways required
molecular features related
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