Analysis of the binding selectivity and inhibiting mechanism of chlorogenic acid isomers and their interaction with grass carp endogenous lipase using multi-spectroscopic, inhibition kinetics and modeling methods.
Sign Up to like & getrecommendations! Published in 2022 at "Food chemistry"
DOI: 10.1016/j.foodchem.2022.132106
Abstract: Polyphenols are inhibitors for lipase, but the binding selectivity and mechanism of polyphenol isomers and how they interact with lipase are not clear. Here, chlorogenic acid (CGA) isomers, neochlorogenic acid (NCGA) and cryptochlorogenic acid (CCGA)… read more here.
Keywords: lipase; binding selectivity; inhibition; acid ... See more keywords
Contribution of Phe112, Ser114, and Tyr115 to Drug-Binding Selectivity in the A Variant of α1-Acid Glycoprotein.
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DOI: 10.1021/acs.molpharmaceut.4c00428
Abstract: The plasma protein α1-acid glycoprotein (AGP) primarily affects the pharmacokinetics of basic drugs. There are two AGP variants in humans, A and F1*S, exhibiting distinct drug-binding selectivity. Elucidation of the drug-binding selectivity of human AGP… read more here.
Keywords: binding selectivity; acid glycoprotein; drug; phe112 ser114 ... See more keywords
Flexibility of Binding Site is Essential to the Ca2+ Selectivity in EF-Hand Calcium-Binding Proteins.
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DOI: 10.1021/jacs.3c13981
Abstract: High binding affinity and selectivity of metal ions are essential to the function of metalloproteins. Thus, understanding the factors that determine these binding characteristics is of major interest for both fundamental mechanistic investigations and guiding… read more here.
Keywords: binding site; metal; selectivity; binding selectivity ... See more keywords
Mannobioside biomimetics that trigger DC-SIGN binding selectivity.
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DOI: 10.1039/d2cc04478a
Abstract: Selective DC-SIGN targeting vs. langerin might lead to anti-infective agents, given their counteracting effects upon infection by some pathogens. Here we show that multivalent sp2-iminosugar-containing mannobioside analogs can achieve total DC-SIGN selectivity by levering the… read more here.
Keywords: sign binding; binding selectivity; trigger sign; biomimetics trigger ... See more keywords
Theoretical exploration of the binding selectivity of inhibitors to BRD7 and BRD9 with multiple short molecular dynamics simulations
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DOI: 10.1039/d2ra02637f
Abstract: Bromodomain-containing proteins 7 and 9 (BRD7 and BRD9) have been considered as potential targets of clinical drug design toward treatment of human cancers and other diseases. Multiple short molecular dynamics simulations and binding free energy… read more here.
Keywords: binding selectivity; selectivity; 5u6 6kt; brd7 brd9 ... See more keywords
Computational insights for predicting the binding and selectivity of peptidomimetic plasmepsin IV inhibitors against cathepsin D
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DOI: 10.1039/d2ra06246a
Abstract: Plasmepsins (Plms) are aspartic proteases involved in the degradation of human hemoglobin by P. falciparum and are essential for the survival and growth of the parasite. Therefore, Plm enzymes are reported as an important antimalarial… read more here.
Keywords: predicting binding; selectivity peptidomimetic; insights predicting; binding selectivity ... See more keywords