FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2305826495> ?p ?o ?g. }

• W2305826495 endingPage "193" @default.
• W2305826495 startingPage "185" @default.
• W2305826495 abstract "Abstract Hepatitis C Virus (HCV) NS5B RNA-dependent RNA polymerase is an attractive target for anti-HCV development. Several mutations such as A421V, L392I and P495L in thumb I pocket of HCV NS5B polymerase have been proved to be resistant to BMS-791325 (Phase III clinical trial). A deep understanding of the resistance mechanism conferred by these mutations is important to the design and discovery of more new effective drugs against resistant HCV strains. We performed molecular dynamics (MD) simulations, free energy calculation and adaptive biasing force (ABF) simulation to study the possible resistance mechanism conferred by the above mutants. MD simulation results show the hydrophobic interaction is the driving force for BMS-791325 binding. ABF simulation proves that attenuation of the hydrophilic interaction between R503 and BMS-791325 is the first step for drug to escape from the binding site. Loss of the hydrophilic interaction makes drug easily to move out of the hydrophobic pocket. The simulation results further reveal that A421V, L392I and P495L mutants reduce drug binding affinity. P495L mutant makes the binding pocket more flexible and cannot anchor BMS-791325. The altered hydrophilic interactions of mutant residues are the essential reasons leading to drug resistance in A421V and L392I mutants. Our results will provide useful information to develop effective HCV NS5B inhibitors against resistance." @default.
• W2305826495 created "2016-06-24" @default.
• W2305826495 creator A5027345342 @default.
• W2305826495 creator A5031115758 @default.
• W2305826495 creator A5037785133 @default.
• W2305826495 creator A5052406702 @default.
• W2305826495 creator A5054987508 @default.
• W2305826495 creator A5079699057 @default.
• W2305826495 date "2016-05-01" @default.
• W2305826495 modified "2023-09-29" @default.
• W2305826495 title "Computational study on the drug resistance mechanism of hepatitis C virus NS5B RNA-dependent RNA polymerase mutants to BMS-791325 by molecular dynamics simulation and binding free energy calculations" @default.
• W2305826495 cites W1975580333 @default.
• W2305826495 cites W1976499671 @default.
• W2305826495 cites W1978330227 @default.
• W2305826495 cites W1986783319 @default.
• W2305826495 cites W1988704207 @default.
• W2305826495 cites W1988823525 @default.
• W2305826495 cites W1989992848 @default.
• W2305826495 cites W1995704702 @default.
• W2305826495 cites W1998641439 @default.
• W2305826495 cites W1998711432 @default.
• W2305826495 cites W2006283486 @default.
• W2305826495 cites W2014290325 @default.
• W2305826495 cites W2016352512 @default.
• W2305826495 cites W2022251008 @default.
• W2305826495 cites W2024763248 @default.
• W2305826495 cites W2035266068 @default.
• W2305826495 cites W2035687084 @default.
• W2305826495 cites W2039596137 @default.
• W2305826495 cites W2039979336 @default.
• W2305826495 cites W2041554376 @default.
• W2305826495 cites W2042821667 @default.
• W2305826495 cites W2044903920 @default.
• W2305826495 cites W2045378360 @default.
• W2305826495 cites W2056501418 @default.
• W2305826495 cites W2060755598 @default.
• W2305826495 cites W2073589743 @default.
• W2305826495 cites W2075282196 @default.
• W2305826495 cites W2075369230 @default.
• W2305826495 cites W2095398138 @default.
• W2305826495 cites W2118233996 @default.
• W2305826495 cites W2120686108 @default.
• W2305826495 cites W2125915612 @default.
• W2305826495 cites W2142868265 @default.
• W2305826495 cites W2144288821 @default.
• W2305826495 cites W2147993766 @default.
• W2305826495 cites W2150981663 @default.
• W2305826495 cites W2159376943 @default.
• W2305826495 cites W2163606686 @default.
• W2305826495 cites W2165308457 @default.
• W2305826495 cites W2171709821 @default.
• W2305826495 cites W2205463031 @default.
• W2305826495 cites W2206669594 @default.
• W2305826495 cites W2952241626 @default.
• W2305826495 doi "https://doi.org/10.1016/j.chemolab.2016.03.015" @default.
• W2305826495 hasPublicationYear "2016" @default.
• W2305826495 type Work @default.
• W2305826495 sameAs 2305826495 @default.
• W2305826495 citedByCount "18" @default.
• W2305826495 countsByYear W23058264952017 @default.
• W2305826495 countsByYear W23058264952018 @default.
• W2305826495 countsByYear W23058264952019 @default.
• W2305826495 countsByYear W23058264952020 @default.
• W2305826495 countsByYear W23058264952021 @default.
• W2305826495 countsByYear W23058264952023 @default.
• W2305826495 crossrefType "journal-article" @default.
• W2305826495 hasAuthorship W2305826495A5027345342 @default.
• W2305826495 hasAuthorship W2305826495A5031115758 @default.
• W2305826495 hasAuthorship W2305826495A5037785133 @default.
• W2305826495 hasAuthorship W2305826495A5052406702 @default.
• W2305826495 hasAuthorship W2305826495A5054987508 @default.
• W2305826495 hasAuthorship W2305826495A5079699057 @default.
• W2305826495 hasConcept C104317684 @default.
• W2305826495 hasConcept C121332964 @default.
• W2305826495 hasConcept C143065580 @default.
• W2305826495 hasConcept C147597530 @default.
• W2305826495 hasConcept C159047783 @default.
• W2305826495 hasConcept C181199279 @default.
• W2305826495 hasConcept C185592680 @default.
• W2305826495 hasConcept C2522874641 @default.
• W2305826495 hasConcept C2776408679 @default.
• W2305826495 hasConcept C2776449523 @default.
• W2305826495 hasConcept C2781426373 @default.
• W2305826495 hasConcept C2781463415 @default.
• W2305826495 hasConcept C41258723 @default.
• W2305826495 hasConcept C55493867 @default.
• W2305826495 hasConcept C59593255 @default.
• W2305826495 hasConcept C62520636 @default.
• W2305826495 hasConcept C67705224 @default.
• W2305826495 hasConcept C82381507 @default.
• W2305826495 hasConcept C86803240 @default.
• W2305826495 hasConcept C89611455 @default.
• W2305826495 hasConceptScore W2305826495C104317684 @default.
• W2305826495 hasConceptScore W2305826495C121332964 @default.
• W2305826495 hasConceptScore W2305826495C143065580 @default.
• W2305826495 hasConceptScore W2305826495C147597530 @default.
• W2305826495 hasConceptScore W2305826495C159047783 @default.
• W2305826495 hasConceptScore W2305826495C181199279 @default.

• next