Virtual screen for repurposing approved and experimental drugs for candidate inhibitors of EBOLA virus infection

F1000Research

Volumn 4, Issue , 2015, Pages

  Veljkovic, Veljko ^a   Loiseau, Philippe M ^b   Figadere, Bruno ^b   Glisic, Sanja ^a   Veljkovic, Nevena ^a   Perovic, Vladimir R ^a   Cavanaugh, David P ^c   Branch, Donald R ^d  

^a UNIVERSITY OF BELGRADE   (Serbia)

^b UNIVERSITÉ PARIS SUD   (France)

^c Bench Electronics ^*  (United States)

^d CANADIAN BLOOD SERVICES   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

1,4 BIS(2 CHLOROBENZYLAMINOMETHYL)CYCLOHEXANE; 3BETA (2 DIETHYLAMINOETHOXY)ANDROST 5 EN 17 ONE; ALBENDAZOLE; AMIODARONE; ANTIBIOTIC AGENT; ANTIMALARIAL AGENT; ANTIVIRUS AGENT; BAFILOMYCIN A1; BRINCIDOFOVIR; CHLOROQUINE; CHLORPROMAZINE; CLOMIFENE; COLCHICINE; CYTOCHALASIN B; CYTOCHALASIN D; DRONEDARONE; FAVIPIRAVIR; JASPAMIDE; LATRUCULION A; LATRUNCULIN A; MEBENDAZOLE; NAVELBINE; NOCODAZOLE; TERCONAZOLE; TOREMIFENE; TRIPARANOL; UNCLASSIFIED DRUG; UNINDEXED DRUG; VERAPAMIL; VINBLASTINE; VINCRISTINE;

ARTICLE; DRUG APPROVAL; DRUG SCREENING; EBOLA HEMORRHAGIC FEVER; EBOLA VIRUS; HUMAN; IN VITRO STUDY; IN VIVO STUDY; MOLECULAR LIBRARY; VIRTUAL REALITY; WEB BROWSER;

EID: 84925004394     PISSN: 20461402     EISSN: 1759796X     Source Type: Journal    
DOI: 10.12688/f1000research.6110.2     Document Type: Article

References (43)

1. Enserink M: Infectious diseases. Debate erupts on 'repurposed' drugs for Ebola. Science. 2014;345(6198):718-9. 25124404 10.1126/science.345.6198.718
2. Madrid PB Chopra S Manger ID: A systematic screen of FDA-approved drugs for inhibitors of biological threat agents. PLoS One. 2013;8(4):e60579. 23577127 10.1371/journal.pone.0060579 3618516
3. Kouznetsova J Sun W Martínez-Romero C: Identification of 53 compounds that block Ebola virus-like particle entry via a repurposing screen of approved drugs. Emerg Microb Infect. 2014;3:e84. 10.1038/emi.2014.88
4. Veljkovic V Veljkovic N Este J: Application of the EIIP/ISM bioinformatics concept in development of new drugs. Curr Med Chem. 2007;14(4):441-53. 17305545 10.2174/092986707779941014
5. Veljkovic V Mouscadet JF Veljkovic N: Simple criterion for selection of flavonoid compounds with anti-HIV activity. Bioorg Medic Chem Lett. 2007;17(5):1226-32. 17189684 10.1016/j.bmcl.2006.12.029
6. Veljkovic N Glisic S Perovic V: The role of long-range intermolecular interactions in discovery of new drugs. Exp Opin Drug Disc. 2011;6(12):1263-70. 22647065 10.1517/17460441.2012.638280
7. Maga G Veljkovic N Crespan E: New in silico and conventional in vitro approaches to advance HIV drug discovery and design. Exp Opin Drug Discov. 2013;8(1):83-92. 23167743 10.1517/17460441.2013.741118
8. Veljkovic N Glisic S Prljic J: Simple and general criterion for "in silico screening of candidate HIV drugs. Curr Pharm Biotechnol. 2013;14(5):561-9. 22429138 10.2174/138920101405131111105301
9. Tintori C Veljkovic N Veljkovic V: Computational studies of the interaction between the HIV-1 integrase tetramer and the cofactor LEDGF/p75: insights from molecular dynamics simulations and the informational spectrum method. Proteins. 2010;78(16):3396-408. 20878714 10.1002/prot.22847
10. Veljkovic V: A theoretical approach to preselection of carcinogens and chemical carcinogenesis. New York: Gordon & Breach.1980. Reference Source
11. Veljkovic V Slavic I: Simple general-model pseudopotential. Phys Rev Lett. 1972;29:105-7. 10.1103/PhysRevLett.29.105
12. Veljkovic V: The dependence of the Fermi energy on the atomic number. Phys Lett. 1973;45A(1):41-2. 10.1016/0375-9601(73)90497-0
13. Wool-Lewis RJ Bates P: Characterization of Ebola virus entry by using pseudotyped viruses: identification of receptor-deficient cell lines. J Virol. 1998;72(4):3155-60. 9525641 109772
14. Yonezawa A Cavrois M Greene WC: Studies of Ebola virus glycoprotein-mediated entry and fusion by using pseudotyped human immunodeficiency virus type 1 virions: involvement of cytoskeletal proteins and enhancement by tumor necrosis factor alpha. J Virol. 2005;79(2):918-26. 15613320 10.1128/JVI.79.2.918-926.2005 538559
15. Johansen LM Brannan JM Delos SE: FDA-approved selective estrogen receptor modulators inhibit Ebola virus infection. Sci Transl Med. 2013;5(190):190ra79. 23785035 10.1126/scitranslmed.3005471 3955358
16. Bhattacharyya S Warfield KL Ruthel G: Ebola virus uses clathrin-mediated endocytosis as an entry pathway. Virology. 2010;401(1):18-28. 20202662 10.1016/j.virol.2010.02.015 3732189
17. Gehring G Rohrmann K Atenchong N: The clinically approved drugs amiodarone, dronedarone and verapamil inhibit filovirus cell entry. J Antimicrob Chemother. 2014;69(8):2123-31. 24710028 10.1093/jac/dku091
18. Shoemaker CJ Schornberg KL Delos SE: Multiple cationic amphiphiles induce a Niemann-Pick C phenotype and inhibit Ebola virus entry and infection. PloS One. 2013;8(2):e56265. 23441171 10.1371/journal.pone.0056265 3575416
19. Carette JE Raaben M Wong AC: Ebola virus entry requires the cholesterol transporter Niemann-Pick C1. Nature. 2011;477(7364):340-3. 21866103 10.1038/nature10348 3175325
20. Côté M Misasi J Ren T: Small molecule inhibitors reveal Niemann-Pick C1 is essential for Ebola virus infection. Nature. 2011;477(7364):344-8. 21866101 10.1038/nature10380 3230319
21. Yonezawa A Cavrois M Greene WC: Studies of Ebola virus glycoprotein-mediated entry and fusion by using pseudotyped human immunodeficiency virus type 1 virions: involvement of cytoskeletal proteins and enhancement by tumor necrosis factor alpha. J Virol. 2005;79(2):918-26. 15613320 10.1128/JVI.79.2.918-926.2005 538559
22. Panchal RG Reid SP Tran JP: Identification of an antioxidant small-molecule with broad-spectrum antiviral activity. Antiviral Res. 2012;93(1):23-9. 22027648 10.1016/j.antiviral.2011.10.011
23. Selaković Z Opsenica D Eaton B: A limited structural modification results in a significantly more efficacious diazachrysene-based filovirus inhibitor. Viruses. 2012;4(8):1279-88. 23012625 10.3390/v4081279 3446762
24. Yermolina MV Wang J Caffrey M: Discovery, synthesis, and biological evaluation of a novel group of selective inhibitors of filoviral entry. J Med Chem. 2011;54(3):765-81. 21204524 10.1021/jm1008715 3081529
25. Kesel AJ Huang Z Murray MG: Retinazone inhibits certain blood-borne human viruses including Ebola virus Zaire. Antivir Chem Chemother. 2014;23(5):197-215. 23636868 10.3851/IMP2568
26. Basu A Li B Mills DM: Identification of a small-molecule entry inhibitor for filoviruses. J Virol. 2011;85(7):3106-19. 21270170 10.1128/JVI.01456-10 3067866
27. Bishop BM: Potential and emerging treatment options for Ebola virus disease. Ann Pharmacother. 2015;49(2):196-206. 25414384 10.1177/1060028014561227
28. Cunninham J Lee K Ren T: Small molecules inhibitors of Ebola and Lassa fever viruses.2014. Reference Source
29. Panchal RG Reid SP Tran JP: Identification of an antioxidant small-molecule with broad-spectrum antiviral activity. Antiviral Res. 2012;93(1):23-9. 22027648 10.1016/j.antiviral.2011.10.011
30. Dube D Schornberg KL Shoemaker CJ: Cell adhesion-dependent membrane trafficking of a binding partner for the ebolavirus glycoprotein is a determinant of viral entry. Proc Natl Acad Sci USA. 2010;107(38):16637-42. 20817853 10.1073/pnas.1008509107 2944755
31. Yonezawa A Cavrois M Greene WC: Studies of Ebola virus glycoprotein-mediated entry and fusion by using pseudotyped human immunodeficiency virus type 1 virions: involvement of cytoskeletal proteins and enhancement by tumor necrosis factor alpha. J Virol. 2005;79(2):918-26. 15613320 10.1128/JVI.79.2.918-926.2005 538559
32. Fakhfakh MA Fournet A Prina E: Synthesis and biological evaluation of substituted quinolines: potential treatment of protozoal and retroviral co-infections. Bioorg Med Chem. 2003;11(23):5013-23. 14604664 10.1016/j.bmc.2003.09.007
33. Fournet A Mahieux R Fakhfakh MA: Substituted quinolines induce inhibition of proliferation of HTLV-1 infected cells. Bioorg Med Chem Lett. 2003;13(5):891-4. 12617915 10.1016/S0960-894X(02)01085-5
34. Gantier JC Fournet A Munos MH: The effect of some 2-substituted quinolines isolated from Galipea longiflora on Plasmodium vinckei petteri infected mice. Planta Med. 1996;62(3):285-6. 8693048 10.1055/s-2006-957883
35. Campos Vieira N Vacus J Fournet A: Antileishmanial activity of a formulation of 2-n-propylquinoline by oral route in mice model. Parasite. 2011;18(4):333-6. 22091464 10.1051/parasite/2011184333 3677589
36. Nakayama H Loiseau PM Bories C: Efficacy of orally administered 2-substituted quinolines in experimental murine cutaneous and visceral leishmaniases. Antimicrob Agents Chemother. 2005;49(12):4950-6. 16304157 10.1128/AAC.49.12.4950-4956.2005 1315925
37. Schmidt F Champy P Séon-Méniel B: Chemicals possessing a neurotrophin-like activity on dopaminergic neurons in primary culture. PLoS One. 2009;4(7):e6215. 19593444 10.1371/journal.pone.0006215 2704893
38. Perovic VR: Virtual screen for candidate inhibitors of EBOLA virus infection. F1000Res. 2015. Reference Source
39. Veljkovic V Loiseau PM Figadère B: Dataset 1 in: Virtual screen for repurposing approved and experimental drugs for candidate inhibitors of EBOLA virus infection. F1000Research. 2015. Data Source
40. Veljkovic V Loiseau PM Figadère B: Dataset 2 in: Virtual screen for repurposing approved and experimental drugs for candidate inhibitors of EBOLA virus infection. F1000Research. 2015. Data Source
41. Veljkovic V Loiseau PM Figadère B: Dataset 3 in: Virtual screen for repurposing approved and experimental drugs for candidate inhibitors of EBOLA virus infection. F1000Research. 2015. Data Source
42. Veljkovic V Loiseau PM Figadère B: Dataset 4 in: Virtual screen for repurposing approved and experimental drugs for candidate inhibitors of EBOLA virus infection. F1000Research. 2015. Data Source
43. Todeschini R Consoni V: Molecular descriptors for chemoinformatics. Weinheim: Wiley VCH Verlag. 2009. 10.1002/9783527628766.ch18