References
- Brown PO. Integration. In: Coffin JM, Hughes SH, Varmus HE, editors. Retroviruses. Cold Spring Harbor (NY): Cold Spring Harbor Laboratory Press; 1997
- Esposito D, Craigie R. HIV integrase structure and function. Adv Virus Res 1999;52:319–33
- Cai M, Zheng R, Caffrey M, et al. Solution structure of the N-terminal zinc binding domain of HIV-1 integrase. Nat Struct Biol 1997;4:567–77
- Chen JC, Krucinski J, Miercke LJ, et al. Crystal structure of the HIV-1 integrase catalytic core and C-terminal domains: a model for viral DNA binding. Proc Natl Acad Sci USA 2000;97:8233–8
- Gu WG, Zhang X, Yuan JF. Anti-HIV drug development through computational methods. AAPS J 2014;16:674–80
- Gu WG, Ip DT, Liu SJ, et al. 1,4-Bis(5-(naphthalen-1-yl)thiophen-2-yl)naphthalene, a small molecule, functions as a novel anti-HIV-1 inhibitor targeting the interaction between integrase and cellular Lens epithelium-derived growth factor. Chem Biol Interact 2014;213C:21–7
- Deng J, Li N, Liu H, et al. Discovery of novel small molecule inhibitors of dengue viral NS2B–NS3 protease using virtual screening and scaffold hopping. J Med Chem 2012;55:6278–93
- Nguyen TT, Ryu HJ, Lee SH, et al. Virtual screening identification of novel severe acute respiratory syndrome 3C-like protease inhibitors and in vitro confirmation. Bioorg Med Chem Lett 2011;21:3088–91
- Poongavanam V, Kongsted J. Virtual screening models for prediction of HIV-1 RT associated RNase H inhibition. PLoS One 2013;8:e73478
- Sangma C, Chuakheaw D, Jongkon N, et al. Virtual screening for anti-HIV-1 RT and anti-HIV-1 PR inhibitors from the Thai medicinal plants database: a combined docking with neural networks approach. Comb Chem High Throughput Screen 2005;8:417–29
- Yadav D, Paliwal S, Yadav R, et al. Identification of novel HIV 1-protease inhibitors: application of ligand and structure based pharmacophore mapping and virtual screening. PLoS One 2012;7:e48942
- De Luca L, Ferro S, Morreale F, Chimirri A. Inhibition of the interaction between HIV-1 integrase and its cofactor LEDGF/p75: a promising approach in anti-retroviral therapy. Mini Rev Med Chem 2011;11:714–27
- Evering TH, Markowitz M. Raltegravir (MK-0518): an integrase inhibitor for the treatment of HIV-1. Drugs Today (Barc) 2007;43:865–77
- Smart T. The first integrase inhibitor. GMHC Treat Issues 1996;10:8–9
- Reinke R, Lee DJ, Robinson WE Jr. Inhibition of human immunodeficiency virus type 1 isolates by the integrase inhibitor L-731,988, a diketo acid. Antimicrob Agents Chemother 2002;46:3301–3
- Chi G, Nair V, Semenova E, Pommier Y. A novel diketo phosphonic acid that exhibits specific, strand-transfer inhibition of HIV integrase and anti-HIV activity. Bioorg Med Chem Lett 2007;17:1266–9
- Cox AG, Nair V. Novel HIV integrase inhibitors with anti-HIV activity: insights into integrase inhibition from docking studies. Antivir Chem Chemother 2006;17:343–53
- Crosby DC, Lei X, Gibbs CG, et al. Design, synthesis, and biological evaluation of novel hybrid dicaffeoyltartaric/diketo acid and tetrazole-substituted l-chicoric acid analogue inhibitors of human immunodeficiency virus type 1 integrase. J Med Chem 2010;53:8161–75
- Di Santo R, Costi R, Roux A, et al. Novel bifunctional quinolonyl diketo acid derivatives as HIV-1 integrase inhibitors: design, synthesis, biological activities, and mechanism of action. J Med Chem 2006;49:1939–45
- Di Santo R, Costi R, Roux A, et al. Novel quinolinonyl diketo acid derivatives as HIV-1 integrase inhibitors: design, synthesis, and biological activities. J Med Chem 2008;51:4744–50
- Ferro S, Barreca ML, De Luca L, et al. New 4-[(1-benzyl-1H-indol-3-yl)carbonyl]-3-hydroxyfuran-2(5H)-ones, beta-diketo acid analogs as HIV-1 integrase inhibitors. Arch Pharm (Weinheim) 2007;340:292–8
- Patil S, Kamath S, Sanchez T, et al. Synthesis and biological evaluation of novel 5(H)-phenanthridin-6-ones, 5(H)-phenanthridin-6-one diketo acid, and polycyclic aromatic diketo acid analogs as new HIV-1 integrase inhibitors. Bioorg Med Chem 2007;15:1212–28
- Sechi M, Derudas M, Dallocchio R, et al. Design and synthesis of novel indole beta-diketo acid derivatives as HIV-1 integrase inhibitors. J Med Chem 2004;47:5298–310
- Sechi M, Sannia L, Carta F, et al. Design of novel bioisosteres of beta-diketo acid inhibitors of HIV-1 integrase. Antiviral Chem Chemother 2005;16:41–61
- Sharma H, Sanchez TW, Neamati N, et al. Synthesis, docking, and biological studies of phenanthrene beta-diketo acids as novel HIV-1 integrase inhibitors. Bioorg Med Chem Lett 2013;23:6146–51
- Svarovskaia ES, Barr R, Zhang X, et al. Azido-containing diketo acid derivatives inhibit human immunodeficiency virus type 1 integrase in vivo and influence the frequency of deletions at two-long-terminal-repeat-circle junctions. J Virol 2004;78:3210–22
- Vandurm P, Guiguen A, Cauvin C, et al. Synthesis, biological evaluation and molecular modeling studies of quinolonyl diketo acid derivatives: new structural insight into the HIV-1 integrase inhibition. Eur J Med Chem 2011;46:1749–56
- Zeng LF, Zhang HS, Wang YH, et al. Efficient synthesis and utilization of phenyl-substituted heteroaromatic carboxylic acids as aryl diketo acid isosteres in the design of novel HIV-1 integrase inhibitors. Bioorg Med Chem Lett 2008;18:4521–4
- Zhang X, Marchand C, Pommier Y, Burke TR Jr. Design and synthesis of photoactivatable aryl diketo acid-containing HIV-1 integrase inhibitors as potential affinity probes. Bioorg Med Chem Lett 2004;14:1205–7
- Zhang X, Pais GC, Svarovskaia ES, et al. Azido-containing aryl beta-diketo acid HIV-1 integrase inhibitors. Bioorg Med Chem Lett 2003;13:1215–19
- Lee JS, Calmy A, Andrieux-Meyer I, Ford N. Review of the safety, efficacy, and pharmacokinetics of elvitegravir with an emphasis on resource-limited settings. HIV AIDS (Auckl) 2012;4:5–15
- Walmsley SL, Antela A, Clumeck N, et al. Dolutegravir plus abacavir–lamivudine for the treatment of HIV-1 infection. N Engl J Med 2013;369:1807–18
- Gandhi RT. Raltegravir, a new HIV integrase inhibitor. AIDS Clin Care 2007;19:105
- Fenwick C, Amad M, Bailey MD, et al. Preclinical profile of BI 224436, a novel HIV-1 non-catalytic site integrase inhibitor. Antimicrob Agents Chemother 2014;58:3233–44
- Charpentier C, Karmochkine M, Laureillard D, et al. Drug resistance profiles for the HIV integrase gene in patients failing raltegravir salvage therapy. HIV Med 2008;9:765–70
- Clavel F. HIV resistance to raltegravir. Eur J Med Res 2009;14:47–54
- Fan X, Zhang FH, Al-Safi RI, et al. Design of HIV-1 integrase inhibitors targeting the catalytic domain as well as its interaction with LEDGF/p75: a scaffold hopping approach using salicylate and catechol groups. Bioorg Med Chem 2011;19:4935–52
- Hu Z, Kuritzkes DR. Effect of raltegravir resistance mutations in HIV-1 integrase on viral fitness. J Acquir Immune Defic Syndr 2010;55:148–55
- Hughes CA, Robinson L, Tseng A, MacArthur RD. New antiretroviral drugs: a review of the efficacy, safety, pharmacokinetics, and resistance profile of tipranavir, darunavir, etravirine, rilpivirine, maraviroc, and raltegravir. Expert Opin Pharmacother 2009;10:2445–66
- Wirden M, Simon A, Schneider L, et al. Raltegravir has no residual antiviral activity in vivo against HIV-1 with resistance-associated mutations to this drug. J Antimicrob Chemother 2009;64:1087–90
- Masso M, Chuang G, Hao K, et al. Structure-based predictors of resistance to the HIV-1 integrase inhibitor elvitegravir. Antiviral Res 2014;106:5–12
- Hu G, Li X, Zhang X, et al. Discovery of inhibitors to block interactions of HIV-1 integrase with human LEDGF/p75 via structure-based virtual screening and bioassays. J Med Chem 2012;55:10108–17
- John S, Fletcher TM 3rd, Jonsson CB. Development and application of a high-throughput screening assay for HIV-1 integrase enzyme activities. J Biomol Screen 2005;10:606–14
- Anisenko A, Agapkina J, Zatsepin T, et al. A new fluorometric assay for the study of DNA-binding and 3′-processing activities of retroviral integrases and its use for screening of HIV-1 integrase inhibitors. Biochimie 2012;94:2382–90
- Van Loock M, Meersseman G, Van Acker K, et al. A novel high-throughput cellular screening assay for the discovery of HIV-1 integrase inhibitors. J Virol Methods 2011;179:396–401
- Hou Y, McGuinness DE, Prongay AJ, et al. Screening for antiviral inhibitors of the HIV integrase-LEDGF/p75 interaction using the AlphaScreen luminescent proximity assay. J Biomol Screen 2008;13:406–14
- Lavecchia A, Di Giovanni C. Virtual screening strategies in drug discovery: a critical review. Curr Med Chem 2013;20:2839–60
- Kim KH, Kim ND, Seong BL. Pharmacophore-based virtual screening: a review of recent applications. Expert Opin Drug Discov 2010;5:205–22
- Scior T, Bender A, Tresadern G, et al. Recognizing pitfalls in virtual screening: a critical review. J Chem Inf Model 2013;52:867–81
- Xu X, Yang W, Li Y, Wang Y. Discovery of estrogen receptor modulators: a review of virtual screening and SAR efforts. Expert Opin Drug Discov 2010;5:21–31
- Dyda F, Hickman AB, Jenkins TM, et al. Crystal structure of the catalytic domain of HIV-1 integrase: similarity to other polynucleotidyl transferases. Science 1994;266:1981–6
- Wielens J, Headey SJ, Jeevarajah D, et al. Crystal structure of the HIV-1 integrase core domain in complex with sucrose reveals details of an allosteric inhibitory binding site. FEBS Lett 2010;584:1455–62
- Rhodes DI, Peat TS, Vandegraaff N, et al. Crystal structures of novel allosteric peptide inhibitors of HIV integrase identify new interactions at the LEDGF binding site. Chembiochem 2011;12:2311–15
- Hare S, Shun MC, Gupta SS, et al. 2009. A novel co-crystal structure affords the design of gain-of-function lentiviral integrase mutants in the presence of modified PSIP1/LEDGF/p75. PLoS Pathog 2014;5:e1000259
- Cherepanov P, Ambrosio AL, Rahman S, et al. Structural basis for the recognition between HIV-1 integrase and transcriptional coactivator p75. Proc Natl Acad Sci USA 2005;102:17308–13
- Cherepanov P, Maertens G, Proost P, et al. HIV-1 integrase forms stable tetramers and associates with LEDGF/p75 protein in human cells. J Biol Chem 2003;278:372–81
- Llano M, Vanegas M, Fregoso O, et al. LEDGF/p75 determines cellular trafficking of diverse lentiviral but not murine oncoretroviral integrase proteins and is a component of functional lentiviral preintegration complexes. J Virol 2004;78:9524–37
- Maertens G, Cherepanov P, Debyser Z, et al. Identification and characterization of a functional nuclear localization signal in the HIV-1 integrase interactor LEDGF/p75. J Biol Chem 2004;279:33421–9
- Maertens G, Cherepanov P, Pluymers W, et al. LEDGF/p75 is essential for nuclear and chromosomal targeting of HIV-1 integrase in human cells. J Biol Chem 2003;278:33528–39
- Emiliani S, Mousnier A, Busschots K, et al. Integrase mutants defective for interaction with LEDGF/p75 are impaired in chromosome tethering and HIV-1 replication. J Biol Chem 2005;280:25517–23
- Llano M, Delgado S, Vanegas M, Poeschla EM. Lens epithelium-derived growth factor/p75 prevents proteasomal degradation of HIV-1 integrase. J Biol Chem 2004;279:55570–7
- Singh DP, Ohguro N, Kikuchi T, et al. Lens epithelium-derived growth factor: effects on growth and survival of lens epithelial cells, keratinocytes, and fibroblasts. Biochem Biophys Res Commun 2000;267:373–81
- Du L, Zhao Y, Chen J, et al. D77, one benzoic acid derivative, functions as a novel anti-HIV-1 inhibitor targeting the interaction between integrase and cellular LEDGF/p75. Biochem Biophys Res Commun 2008;375:139–44
- De Luca L, Morreale F, Christ F, et al. New scaffolds of natural origin as integrase-LEDGF/p75 interaction inhibitors: virtual screening and activity assays. Eur J Med Chem 2013;68:405–11
- Colas C, Iorga BI. Virtual screening of the SAMPL4 blinded HIV integrase inhibitors dataset. J Comput Aid Mol Des 2014
- Gallicchio E, Deng N, He P, et al. Virtual screening of integrase inhibitors by large scale binding free energy calculations: the SAMPL4 challenge. J Comput Aid Mol Des 2014
- Liao C, Karki RG, Marchand C, et al. Virtual screening application of a model of full-length HIV-1 integrase complexed with viral DNA. Bioorg Med Chem Lett 2007;17:5361–5
- Reddy KK, Singh P, Singh SK. Blocking the interaction between HIV-1 integrase and human LEDGF/p75: mutational studies, virtual screening and molecular dynamics simulations. Mol Biosyst 2014;10:526–36
- Bhatt H, Patel P, Pannecouque C. Discovery of HIV-1 integrase inhibitors: pharmacophore mapping, virtual screening, molecular docking, synthesis, and biological evaluation. Chem Biol Drug Des 2014;83:154–66
- Ma SK, Wu KZ, Li AX. Virtual screening for natural product inhibitors of HIV-1 integrase. Interdiscip Sci 2011;3:17–21
- Reddy KK, Singh SK, Tripathi SK, Selvaraj C. Identification of potential HIV-1 integrase strand transfer inhibitors: in silico virtual screening and QM/MM docking studies. SAR QSAR Environ Res 2013;24:581–95
- Syahdi RR, Mun'im A, Suhartanto H, Yanuar A. Virtual screening of Indonesian herbal database as HIV-1 reverse transcriptase inhibitor. Bioinformation 2013;8:1206–10