Using the local symmetry in amino acids sequences of polypeptides to improve the predictive potential of models of their inhibitor activity

Amino Acids. 2023 Sep 14. doi: 10.1007/s00726-023-03322-0. Online ahead of print.ABSTRACTThe minimal inhibitory concentrations (pMIC) are a valuable measure of the biological activity of polypeptides. Numerical data on the pMIC are necessary to systematize knowledge on polypeptides' biochemical behaviour. The model of negative decimal logarithm of pMIC of polypeptides in the form of a mathematical function of a sequence of amino acids is suggested. The suggested model is based on the so-called correlation weights of amino acids together with the correlation weights of fragments of local symmetry (FLS). Three kinds of the FLS are considered: (i) three-symbol fragments '…xyx…', (ii) four-symbol fragments '…xyyx…', and (iii) five-symbol fragments '…xyzyx…'. The models built using the Monte Carlo technique improved by applying the index of ideality of correlation (IIC) and correlation intensity index (CII).PMID:37707646 | DOI:10.1007/s00726-023-03322-0

Source: Amino Acids - September 14, 2023 Category: Biochemistry Authors: Alla P Toropova Andrey A Toropov Source Type: research