Matches in SemOpenAlex for { <https://semopenalex.org/work/W4317433247> ?p ?o ?g. }
- W4317433247 abstract "Abstract The dengue virus (DENV), composed of four distinct but serologically related Flaviviruses, causes the most important emerging viral disease, with nearly 400 million infections yearly. Currently, there are no approved therapies. Although DENV infection induces lifelong immunity against the same serotype, the antibodies raised contribute to severe disease in heterotypic infections. Therefore, understanding the mechanism of DENV neutralization by antibodies is crucial in the design of vaccines against all serotypes. This study reports a comparative structural and energetic analysis of the monoclonal antibody Mab 4E11 in complex with its target domain III of the envelope protein for all four DENV serotypes. We use extensive replica molecular dynamics simulations in conjunction with the binding free energy calculations. Further single point and double mutations were designed through computational site-directed mutagenesis and observed that the re-engineered antibody exhibits high affinity to binding and broadly neutralizing activity against serotypes. Our results showed improved binding affinity by the gain of enthalpy, which could be attributed to the stabilization of salt-bridge and hydrogen bond interactions at the antigen-antibody interface. The findings provide valuable results in understanding the structural dynamics and energetic contributions that will be helpful to the design of high-affinity antibodies against dengue infections." @default.
- W4317433247 created "2023-01-19" @default.
- W4317433247 creator A5001631682 @default.
- W4317433247 creator A5031168014 @default.
- W4317433247 creator A5048179593 @default.
- W4317433247 creator A5090815521 @default.
- W4317433247 date "2023-01-19" @default.
- W4317433247 modified "2023-10-16" @default.
- W4317433247 title "Computer-aided affinity enhancement of a cross-reactive antibody against dengue virus envelope domain III" @default.
- W4317433247 cites W1968984443 @default.
- W4317433247 cites W1975580333 @default.
- W4317433247 cites W1986082370 @default.
- W4317433247 cites W1988367399 @default.
- W4317433247 cites W1994941561 @default.
- W4317433247 cites W2001568055 @default.
- W4317433247 cites W2017226666 @default.
- W4317433247 cites W2017577931 @default.
- W4317433247 cites W2033540007 @default.
- W4317433247 cites W2035266068 @default.
- W4317433247 cites W2036444473 @default.
- W4317433247 cites W2038110764 @default.
- W4317433247 cites W2038532826 @default.
- W4317433247 cites W2046997318 @default.
- W4317433247 cites W2051298245 @default.
- W4317433247 cites W2064488723 @default.
- W4317433247 cites W2067174909 @default.
- W4317433247 cites W2068825716 @default.
- W4317433247 cites W2073727854 @default.
- W4317433247 cites W2078998316 @default.
- W4317433247 cites W2083164919 @default.
- W4317433247 cites W2083946713 @default.
- W4317433247 cites W2092644992 @default.
- W4317433247 cites W2094795801 @default.
- W4317433247 cites W2097288560 @default.
- W4317433247 cites W2116471574 @default.
- W4317433247 cites W2127896903 @default.
- W4317433247 cites W2131222241 @default.
- W4317433247 cites W2132629607 @default.
- W4317433247 cites W2142868265 @default.
- W4317433247 cites W2144095627 @default.
- W4317433247 cites W2144775933 @default.
- W4317433247 cites W2148768886 @default.
- W4317433247 cites W2149682742 @default.
- W4317433247 cites W2155705845 @default.
- W4317433247 cites W2156864709 @default.
- W4317433247 cites W2158488625 @default.
- W4317433247 cites W2161025464 @default.
- W4317433247 cites W2164079841 @default.
- W4317433247 cites W2168044318 @default.
- W4317433247 cites W2169886236 @default.
- W4317433247 cites W2171160586 @default.
- W4317433247 cites W2274083554 @default.
- W4317433247 cites W2332712348 @default.
- W4317433247 cites W2338936985 @default.
- W4317433247 cites W2404280981 @default.
- W4317433247 cites W2801491392 @default.
- W4317433247 cites W2979780649 @default.
- W4317433247 cites W3090695923 @default.
- W4317433247 cites W3133842805 @default.
- W4317433247 cites W3160566826 @default.
- W4317433247 cites W3214453777 @default.
- W4317433247 cites W4290802662 @default.
- W4317433247 doi "https://doi.org/10.21203/rs.3.rs-2476042/v1" @default.
- W4317433247 hasPublicationYear "2023" @default.
- W4317433247 type Work @default.
- W4317433247 citedByCount "0" @default.
- W4317433247 crossrefType "posted-content" @default.
- W4317433247 hasAuthorship W4317433247A5001631682 @default.
- W4317433247 hasAuthorship W4317433247A5031168014 @default.
- W4317433247 hasAuthorship W4317433247A5048179593 @default.
- W4317433247 hasAuthorship W4317433247A5090815521 @default.
- W4317433247 hasBestOaLocation W43174332471 @default.
- W4317433247 hasConcept C10389963 @default.
- W4317433247 hasConcept C104317684 @default.
- W4317433247 hasConcept C159047783 @default.
- W4317433247 hasConcept C159654299 @default.
- W4317433247 hasConcept C16318435 @default.
- W4317433247 hasConcept C203014093 @default.
- W4317433247 hasConcept C2522874641 @default.
- W4317433247 hasConcept C2779308166 @default.
- W4317433247 hasConcept C2779635636 @default.
- W4317433247 hasConcept C501734568 @default.
- W4317433247 hasConcept C533803919 @default.
- W4317433247 hasConcept C542903549 @default.
- W4317433247 hasConcept C54355233 @default.
- W4317433247 hasConcept C86803240 @default.
- W4317433247 hasConcept C97380033 @default.
- W4317433247 hasConceptScore W4317433247C10389963 @default.
- W4317433247 hasConceptScore W4317433247C104317684 @default.
- W4317433247 hasConceptScore W4317433247C159047783 @default.
- W4317433247 hasConceptScore W4317433247C159654299 @default.
- W4317433247 hasConceptScore W4317433247C16318435 @default.
- W4317433247 hasConceptScore W4317433247C203014093 @default.
- W4317433247 hasConceptScore W4317433247C2522874641 @default.
- W4317433247 hasConceptScore W4317433247C2779308166 @default.
- W4317433247 hasConceptScore W4317433247C2779635636 @default.
- W4317433247 hasConceptScore W4317433247C501734568 @default.
- W4317433247 hasConceptScore W4317433247C533803919 @default.
- W4317433247 hasConceptScore W4317433247C542903549 @default.
- W4317433247 hasConceptScore W4317433247C54355233 @default.