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Protein kinases (PKs) discriminate between closely related sequences that contain serine, threonine, and/or tyrosine residues. Such specificity is defined by the amino acid sequence surrounding the phosphorylatable residue, so that it is possible to identify an optimal recognition motif (ORM) for each PK. The ORM for the protein kinase A (PKA), a well‐known member of the PK family, is the sequence...
In this investigation, an optimal description of the structure–activity relationship was done for 59 σ1 receptor ligands including arylalkylaminoalcohols, arylalkenylamines, and arylalkylamines (denoted as RC‐33 analogs in this manuscript). We used optimal graph‐based (GBD) and Simplified Molecular Input Line Entry System (SMILES)‐based (SBD) descriptors as molecular characteristics of the structures...
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