Focusing on structurally diverse drugs, the in silico model can be used as an efficient tool to rapidly screen the drug-β-cyclodextrin inclusion complex stability and to rationally design the new drug delivery system of poorly soluble drugs.
The processes in Figure 2 depict the control-flow perspective of the eSourcing concept that focuses on structurally harmonizing on an external level the intra-organizational business processes of a service consuming and one or many service providing organizations into a business collaboration.
Thus, our attention focused on the structurally distinct SERM ligands.
For the selection of test compounds, we focused on (i) structurally diverse compounds, (ii) which were available at the time of our study, and (iii) which achieved high pharmacophore fit values.
For the analyses of inhibitor sensitivity, we focused on a structurally well-defined kinase domain (KD) of FGFR1 (Mohammadi et al., 1996, Bae et al., 2010, Norman et al., 2012), with the gatekeeper V561M variant and Y563C variant (corresponding to the replacement found in FGFR4) generated in the context of FGFR1.
Lately, structure-activity relationship studies have focused on identifying novel structurally related docetaxel analogues with increased cytotoxicity in resistant tumours, increased penetration across the BBB, decreased toxicity, oral bioavailability and higher water solubility, the latter facilitating drug formulation.
Here, we focus on the "structurally variable" (high spatial deviation) regions in the alignments of three-dimensional structures of homologous protein domains in PALI database [36].
We focus on four structurally and functionally distinct regions of the nucleosome: histone tails, DNA entry/exit region, dyad symmetry axis region, and interfaces between histone dimers.
Among the mutation-selection codon models, we focus on the structurally constrained (SC) models [ 4- 7] which attempt to explicitly link a protein's tertiary structure to the evolution of its sequence.
