Matches in SemOpenAlex for { <https://semopenalex.org/work/W3036618997> ?p ?o ?g. }
- W3036618997 abstract "Current antiretroviral therapies used for HIV management do not target latent viral reservoirs in humans. The experimental shock-and-kill therapeutic approach involves use of latency-reversal agents (LRAs) that reactivate HIV expression in reservoir-containing cells, followed by infected cell elimination through viral or host immune cytopathic effects. Several LRAs that function as histone deacetylase (HDAC) inhibitors are reported to reverse HIV latency in cells and in clinical trials; however, none to date have consistently reduced viral reservoirs in humans, prompting a need to identify new LRAs. Toward this goal, we describe here a virtual screening (VS) approach which uses 14 reported HDAC inhibitors to probe PubChem and identifies 60 LRA candidates. We then show that four screening hits including (S)-N-Hydroxy-4-(3-methyl-2-phenylbutanamido)benzamide (compound 15), N-(4-Aminophenyl)heptanamide (16), N-[4-(Heptanoylamino)phenyl]heptanamide (17), and 4-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(2-hydroxyethyl)butanamide (18) inhibit HDAC activity and/or reverse HIV latency in vitro. This study demonstrates and supports that VS-based approaches can readily identify novel HDAC inhibitors and LRAs, which in turn may help toward inhibitor design and chemical optimization efforts for improved HIV shock-and-kill-based efforts." @default.
- W3036618997 created "2020-06-25" @default.
- W3036618997 creator A5008197229 @default.
- W3036618997 creator A5015062918 @default.
- W3036618997 creator A5031306422 @default.
- W3036618997 creator A5033712520 @default.
- W3036618997 creator A5056523123 @default.
- W3036618997 creator A5074360646 @default.
- W3036618997 creator A5089720903 @default.
- W3036618997 date "2020-06-17" @default.
- W3036618997 modified "2023-10-14" @default.
- W3036618997 title "Novel Histone Deacetylase Inhibitors and HIV-1 Latency-Reversing Agents Identified by Large-Scale Virtual Screening" @default.
- W3036618997 cites W1968781739 @default.
- W3036618997 cites W1985588649 @default.
- W3036618997 cites W1986741942 @default.
- W3036618997 cites W1986891879 @default.
- W3036618997 cites W1995850373 @default.
- W3036618997 cites W1998202420 @default.
- W3036618997 cites W2009423060 @default.
- W3036618997 cites W2014952106 @default.
- W3036618997 cites W2015477062 @default.
- W3036618997 cites W2015582400 @default.
- W3036618997 cites W2019538911 @default.
- W3036618997 cites W2027643608 @default.
- W3036618997 cites W2028613789 @default.
- W3036618997 cites W2031168104 @default.
- W3036618997 cites W2036390801 @default.
- W3036618997 cites W2037524921 @default.
- W3036618997 cites W2055796578 @default.
- W3036618997 cites W2060097376 @default.
- W3036618997 cites W2063628696 @default.
- W3036618997 cites W2063942286 @default.
- W3036618997 cites W2064944074 @default.
- W3036618997 cites W2083784041 @default.
- W3036618997 cites W2084849455 @default.
- W3036618997 cites W2085307859 @default.
- W3036618997 cites W2086674142 @default.
- W3036618997 cites W2086799752 @default.
- W3036618997 cites W2094493457 @default.
- W3036618997 cites W2098249941 @default.
- W3036618997 cites W2101516953 @default.
- W3036618997 cites W2106507937 @default.
- W3036618997 cites W2120704505 @default.
- W3036618997 cites W2125878780 @default.
- W3036618997 cites W2133641393 @default.
- W3036618997 cites W2139250164 @default.
- W3036618997 cites W2142371967 @default.
- W3036618997 cites W2144480938 @default.
- W3036618997 cites W2145246179 @default.
- W3036618997 cites W2147447587 @default.
- W3036618997 cites W2155762020 @default.
- W3036618997 cites W2158867438 @default.
- W3036618997 cites W2175498115 @default.
- W3036618997 cites W2177317049 @default.
- W3036618997 cites W2225775312 @default.
- W3036618997 cites W2258824161 @default.
- W3036618997 cites W2291959355 @default.
- W3036618997 cites W2320213958 @default.
- W3036618997 cites W2390528474 @default.
- W3036618997 cites W2473556979 @default.
- W3036618997 cites W2536259549 @default.
- W3036618997 cites W2567822565 @default.
- W3036618997 cites W2603282311 @default.
- W3036618997 cites W2651157417 @default.
- W3036618997 cites W2751692355 @default.
- W3036618997 cites W2757955078 @default.
- W3036618997 cites W2766737008 @default.
- W3036618997 cites W2781927064 @default.
- W3036618997 cites W2782174867 @default.
- W3036618997 cites W2782696110 @default.
- W3036618997 cites W2787334746 @default.
- W3036618997 cites W2791203388 @default.
- W3036618997 cites W2809929835 @default.
- W3036618997 cites W2884966105 @default.
- W3036618997 cites W2923403959 @default.
- W3036618997 cites W2943244514 @default.
- W3036618997 cites W4252513698 @default.
- W3036618997 doi "https://doi.org/10.3389/fphar.2020.00905" @default.
- W3036618997 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/7311767" @default.
- W3036618997 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/32625097" @default.
- W3036618997 hasPublicationYear "2020" @default.
- W3036618997 type Work @default.
- W3036618997 sameAs 3036618997 @default.
- W3036618997 citedByCount "13" @default.
- W3036618997 countsByYear W30366189972020 @default.
- W3036618997 countsByYear W30366189972021 @default.
- W3036618997 countsByYear W30366189972022 @default.
- W3036618997 countsByYear W30366189972023 @default.
- W3036618997 crossrefType "journal-article" @default.
- W3036618997 hasAuthorship W3036618997A5008197229 @default.
- W3036618997 hasAuthorship W3036618997A5015062918 @default.
- W3036618997 hasAuthorship W3036618997A5031306422 @default.
- W3036618997 hasAuthorship W3036618997A5033712520 @default.
- W3036618997 hasAuthorship W3036618997A5056523123 @default.
- W3036618997 hasAuthorship W3036618997A5074360646 @default.
- W3036618997 hasAuthorship W3036618997A5089720903 @default.
- W3036618997 hasBestOaLocation W30366189971 @default.
- W3036618997 hasConcept C103697762 @default.
- W3036618997 hasConcept C104317684 @default.
- W3036618997 hasConcept C159047783 @default.