FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2730550714> ?p ?o ?g. }

• W2730550714 endingPage "6821" @default.
• W2730550714 startingPage "6813" @default.
• W2730550714 abstract "Halogens are present in a significant number of drugs, contributing favorably to ligand-protein binding. Currently, the contribution of halogens, most notably chlorine and bromine, is largely attributed to halogen bonds involving favorable interactions with hydrogen bond acceptors. However, we show that halogens acting as hydrogen bond acceptors potentially make a more favorable contribution to ligand binding than halogen bonds based on quantum mechanical calculations. In addition, bioinformatics analysis of ligand-protein crystal structures shows the presence of significant numbers of such interactions. It is shown that interactions between halogens and hydrogen bond donors (HBDs) are dominated by perpendicular C-X···HBD orientations. Notably, the orientation dependence of the halogen-HBD (X-HBD) interactions is minimal over greater than 100° with favorable interaction energies ranging from -2 to -14 kcal/mol. This contrasts halogen bonds in that X-HBD interactions are substantially more favorable, being comparable to canonical hydrogen bonds, with a smaller orientation dependence, such that they make significant, favorable contributions to ligand-protein binding and, therefore, should be actively considered during rational ligand design." @default.
• W2730550714 created "2017-07-14" @default.
• W2730550714 creator A5056944006 @default.
• W2730550714 creator A5073338466 @default.
• W2730550714 date "2017-07-11" @default.
• W2730550714 modified "2023-10-14" @default.
• W2730550714 title "Do Halogen–Hydrogen Bond Donor Interactions Dominate the Favorable Contribution of Halogens to Ligand–Protein Binding?" @default.
• W2730550714 cites W1965976665 @default.
• W2730550714 cites W1967566074 @default.
• W2730550714 cites W1976499671 @default.
• W2730550714 cites W1989224265 @default.
• W2730550714 cites W1989474096 @default.
• W2730550714 cites W1997082598 @default.
• W2730550714 cites W1999765807 @default.
• W2730550714 cites W2009173526 @default.
• W2730550714 cites W2016373164 @default.
• W2730550714 cites W2018851047 @default.
• W2730550714 cites W2023232635 @default.
• W2730550714 cites W2026598007 @default.
• W2730550714 cites W2030206626 @default.
• W2730550714 cites W2041302869 @default.
• W2730550714 cites W2043481835 @default.
• W2730550714 cites W2046376309 @default.
• W2730550714 cites W2051481663 @default.
• W2730550714 cites W2059107251 @default.
• W2730550714 cites W2063779505 @default.
• W2730550714 cites W2069931511 @default.
• W2730550714 cites W2070753604 @default.
• W2730550714 cites W2073156788 @default.
• W2730550714 cites W2077263538 @default.
• W2730550714 cites W2088289146 @default.
• W2730550714 cites W2104234081 @default.
• W2730550714 cites W2106466007 @default.
• W2730550714 cites W2130479394 @default.
• W2730550714 cites W2140148366 @default.
• W2730550714 cites W2145506136 @default.
• W2730550714 cites W2148941593 @default.
• W2730550714 cites W2156975940 @default.
• W2730550714 cites W2165575537 @default.
• W2730550714 cites W2166344128 @default.
• W2730550714 cites W2265596863 @default.
• W2730550714 cites W2319902168 @default.
• W2730550714 cites W2334155602 @default.
• W2730550714 cites W2444060841 @default.
• W2730550714 cites W2598562732 @default.
• W2730550714 cites W4240035468 @default.
• W2730550714 doi "https://doi.org/10.1021/acs.jpcb.7b04198" @default.
• W2730550714 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/5523114" @default.
• W2730550714 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/28657759" @default.
• W2730550714 hasPublicationYear "2017" @default.
• W2730550714 type Work @default.
• W2730550714 sameAs 2730550714 @default.
• W2730550714 citedByCount "74" @default.
• W2730550714 countsByYear W27305507142018 @default.
• W2730550714 countsByYear W27305507142019 @default.
• W2730550714 countsByYear W27305507142020 @default.
• W2730550714 countsByYear W27305507142021 @default.
• W2730550714 countsByYear W27305507142022 @default.
• W2730550714 countsByYear W27305507142023 @default.
• W2730550714 crossrefType "journal-article" @default.
• W2730550714 hasAuthorship W2730550714A5056944006 @default.
• W2730550714 hasAuthorship W2730550714A5073338466 @default.
• W2730550714 hasBestOaLocation W27305507141 @default.
• W2730550714 hasConcept C109095088 @default.
• W2730550714 hasConcept C112887158 @default.
• W2730550714 hasConcept C116569031 @default.
• W2730550714 hasConcept C147597530 @default.
• W2730550714 hasConcept C170493617 @default.
• W2730550714 hasConcept C178790620 @default.
• W2730550714 hasConcept C185592680 @default.
• W2730550714 hasConcept C23029723 @default.
• W2730550714 hasConcept C2780263894 @default.
• W2730550714 hasConcept C32909587 @default.
• W2730550714 hasConcept C46062151 @default.
• W2730550714 hasConcept C505241676 @default.
• W2730550714 hasConcept C517835270 @default.
• W2730550714 hasConcept C55493867 @default.
• W2730550714 hasConcept C71240020 @default.
• W2730550714 hasConcept C75473681 @default.
• W2730550714 hasConcept C8010536 @default.
• W2730550714 hasConceptScore W2730550714C109095088 @default.
• W2730550714 hasConceptScore W2730550714C112887158 @default.
• W2730550714 hasConceptScore W2730550714C116569031 @default.
• W2730550714 hasConceptScore W2730550714C147597530 @default.
• W2730550714 hasConceptScore W2730550714C170493617 @default.
• W2730550714 hasConceptScore W2730550714C178790620 @default.
• W2730550714 hasConceptScore W2730550714C185592680 @default.
• W2730550714 hasConceptScore W2730550714C23029723 @default.
• W2730550714 hasConceptScore W2730550714C2780263894 @default.
• W2730550714 hasConceptScore W2730550714C32909587 @default.
• W2730550714 hasConceptScore W2730550714C46062151 @default.
• W2730550714 hasConceptScore W2730550714C505241676 @default.
• W2730550714 hasConceptScore W2730550714C517835270 @default.
• W2730550714 hasConceptScore W2730550714C55493867 @default.
• W2730550714 hasConceptScore W2730550714C71240020 @default.
• W2730550714 hasConceptScore W2730550714C75473681 @default.
• W2730550714 hasConceptScore W2730550714C8010536 @default.
• W2730550714 hasFunder F4320337354 @default.

• next