• New biochemical insights into the dynamics of water molecules at the GMP or IMP binding site of human GMPR enzyme: A molecular dynamics study

    14 days ago - By Wiley

    Abstract
    Human GMP reductase enzyme is involved in a cellular metabolic pathway, converting GMP into IMP, and also it is an important target for anti-leukemic agents. Present computational investigations explain dynamical behavior of water molecules during the conformational transition process from GMP to IMP using molecular dynamics simulations. Residues at substrate-binding site of cancerous protein are mostly more dynamic in nature than the normal protein. Nineteen conserved water molecules are identified at the GMP/IMP binding site and are classified as conserved stable dynamic and...
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