{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2023,5,17]],"date-time":"2023-05-17T09:10:51Z","timestamp":1684314651454},"reference-count":48,"publisher":"Springer Science and Business Media LLC","issue":"10","license":[{"start":{"date-parts":[[2008,3,27]],"date-time":"2008-03-27T00:00:00Z","timestamp":1206576000000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/www.springer.com\/tdm"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J Comput Aided Mol Des"],"published-print":{"date-parts":[[2008,10]]},"DOI":"10.1007\/s10822-008-9210-y","type":"journal-article","created":{"date-parts":[[2008,3,26]],"date-time":"2008-03-26T16:41:45Z","timestamp":1206549705000},"page":"737-745","source":"Crossref","is-referenced-by-count":1,"title":["Possible allosteric interactions of monoindazole-substituted P2 cyclic urea analogues with wild-type and mutant HIV-1 protease"],"prefix":"10.1007","volume":"22","author":[{"given":"Rajni","family":"Garg","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Barun","family":"Bhhatarai","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"297","published-online":{"date-parts":[[2008,3,27]]},"reference":[{"key":"9210_CR1","doi-asserted-by":"crossref","first-page":"1097","DOI":"10.2174\/1568026043388312","volume":"4","author":"RA Chrusciel","year":"2004","unstructured":"Chrusciel RA, Strohbach JW (2004) Curr Top Med Chem 4:1097","journal-title":"Curr Top Med Chem"},{"key":"9210_CR2","doi-asserted-by":"crossref","first-page":"186","DOI":"10.1046\/j.1469-0691.2003.00570.x","volume":"9","author":"RM Gulick","year":"2003","unstructured":"Gulick RM (2003) Clin Microbiol Infect 9:186","journal-title":"Clin Microbiol Infect"},{"key":"9210_CR3","doi-asserted-by":"crossref","first-page":"201","DOI":"10.1177\/135965350200600401","volume":"6","author":"RP Heeswijk van","year":"2001","unstructured":"van Heeswijk RP, Veldkamp A, Mulder JW, Meenhorst PL, Lange JM, Beijnen JH, Hoetelmans RM (2001) Antivir Ther 6:201","journal-title":"Antivir Ther"},{"key":"9210_CR4","doi-asserted-by":"crossref","first-page":"301","DOI":"10.1177\/135965350400900308","volume":"9","author":"D Turner","year":"2004","unstructured":"Turner D, Schapiro JM, Brenner BG, Wainberg MA (2004) Antivir Ther 9:301","journal-title":"Antivir Ther"},{"key":"9210_CR5","doi-asserted-by":"crossref","first-page":"1821","DOI":"10.1517\/13543784.12.11.1821","volume":"12","author":"S Mehandru","year":"2003","unstructured":"Mehandru S, Markowitz M (2003) Expert Opin Investig Drugs 12:1821","journal-title":"Expert Opin Investig Drugs"},{"key":"#cr-split#-9210_CR6.1","doi-asserted-by":"crossref","unstructured":"(a) Fujita T (1997) Quant Struct-Act Relat 16:107;","DOI":"10.1002\/qsar.19970160202"},{"key":"#cr-split#-9210_CR6.2","doi-asserted-by":"crossref","unstructured":"(b) Yang GF, Huang X (2006) Curr Pharm Des 12:4601","DOI":"10.2174\/138161206779010431"},{"key":"9210_CR7","doi-asserted-by":"crossref","first-page":"255","DOI":"10.1016\/S0169-409X(02)00003-0","volume":"54","author":"WP Walters","year":"2002","unstructured":"Walters WP, Murcko MA (2002) Adv Drug Deliv Rev 54:255","journal-title":"Adv Drug Deliv Rev"},{"key":"#cr-split#-9210_CR8.1","doi-asserted-by":"crossref","unstructured":"(a) Jorgensen WL, Duffy EM (2002) Adv Drug Deliv Rev 54:355;","DOI":"10.1016\/S0169-409X(02)00008-X"},{"key":"#cr-split#-9210_CR8.2","doi-asserted-by":"crossref","unstructured":"(b) Abdel-Rahman HM, Al-karamany GS, El-Koussi NA et\u00a0al (2002) Curr Med Chem 9:1905","DOI":"10.2174\/0929867023368890"},{"key":"#cr-split#-9210_CR9.1","doi-asserted-by":"crossref","unstructured":"(a) Hansch C, Leo A, Mekapati SB, Kurup A (2004) Bioorg Med Chem 12:3391;","DOI":"10.1016\/j.bmc.2003.11.037"},{"key":"#cr-split#-9210_CR9.2","doi-asserted-by":"crossref","unstructured":"(b) Luco JM, Marchevsky E (1999) J Chem Inf Comput Sci 39:396","DOI":"10.1021\/ci980411n"},{"key":"#cr-split#-9210_CR10.1","doi-asserted-by":"crossref","unstructured":"(a) Garg R, Gupta SP, Gao H, Mekapati SB, Debnath AK, Hansch C (1999) Chem Rev 99:3525;","DOI":"10.1021\/cr9703358"},{"key":"#cr-split#-9210_CR10.2","doi-asserted-by":"crossref","unstructured":"(b) Kurup A, Garg R, Hansch C (2001) Chem Rev 101:2573","DOI":"10.1021\/cr010154c"},{"key":"#cr-split#-9210_CR11.1","doi-asserted-by":"crossref","unstructured":"(a) Kurup A, Mekapati SB, Garg R, Hansch C (2003) Curr Med Chem 10:1819;","DOI":"10.2174\/0929867033457070"},{"key":"#cr-split#-9210_CR11.2","doi-asserted-by":"crossref","unstructured":"(b) Debnath AK (2005) Curr Pharm Des 11:3091;","DOI":"10.2174\/1381612054864902"},{"key":"#cr-split#-9210_CR11.3","doi-asserted-by":"crossref","unstructured":"(c) Gayathri P, Pande V, Sivakumar R, Gupta SP (2001) Bioorg Med Chem 9:3059","DOI":"10.1016\/S0968-0896(01)00210-3"},{"key":"9210_CR12","doi-asserted-by":"crossref","first-page":"4078","DOI":"10.1016\/j.bmc.2005.03.049","volume":"13","author":"B Bhhatarai","year":"2005","unstructured":"Bhhatarai B, Garg R (2005) Bioorg Med Chem 13:4078","journal-title":"Bioorg Med Chem"},{"key":"9210_CR13","doi-asserted-by":"crossref","first-page":"3767","DOI":"10.1016\/j.bmcl.2005.05.087","volume":"15","author":"D Patel","year":"2005","unstructured":"Patel D, Garg R (2005) Bioorg Med Chem Lett 15:3767","journal-title":"Bioorg Med Chem Lett"},{"key":"9210_CR14","doi-asserted-by":"crossref","first-page":"2411","DOI":"10.1021\/jm980103g","volume":"41","author":"GV Lucca De","year":"1998","unstructured":"De Lucca GV, Kim UT, Liang J, Cordova B, Klabe RM, Garber S, Bacheler LT, Lam GN, Wright MR, Logue KA, Erickson-Viitanen S, Ko SS, Trainer GL (1998) J Med Chem 41:2411","journal-title":"J Med Chem"},{"key":"#cr-split#-9210_CR15.1","doi-asserted-by":"crossref","unstructured":"(a) Hansch C, Garg R, Kurup A, Mekapati SB (2003) Bioorg Med Chem 11:2075;","DOI":"10.1016\/S0968-0896(03)00056-7"},{"key":"#cr-split#-9210_CR15.2","doi-asserted-by":"crossref","unstructured":"(b) Hansch C, Garg R, Kurup A (2001) Bioorg Med Chem 9:283","DOI":"10.1016\/S0968-0896(00)00248-0"},{"key":"#cr-split#-9210_CR16.1","doi-asserted-by":"crossref","unstructured":"(a) Mekapati SB, Hansch C (2001) Bioorg Med Chem 9:2885;","DOI":"10.1016\/S0968-0896(01)00174-2"},{"key":"#cr-split#-9210_CR16.2","doi-asserted-by":"crossref","unstructured":"(b) Garg R, Kurup A, Hansch C (2001) Bioorg Med Chem 9:3161;","DOI":"10.1016\/S0968-0896(01)00227-9"},{"key":"#cr-split#-9210_CR16.3","doi-asserted-by":"crossref","unstructured":"(c) Christopoulos A (2002) Nat Rev Drug Discov 1:198","DOI":"10.1038\/nrd746"},{"key":"9210_CR17","doi-asserted-by":"crossref","first-page":"3514","DOI":"10.1021\/jm9602571","volume":"39","author":"PYS Lam","year":"1996","unstructured":"Lam PYS, Ru Y, Jadhav PK, Aldrich PE, De Lucca GV, Eyermann CJ, Chang C-H, Emmett G, Holler ER, Daneker WF, Li L, Confalone PN, McHugh RJ, Han Q, Markwalder JA, Seitz SP, Bacheler LT, Rayner MM, Klabe RM, Shum L, Winslow DL, Kornhauser DM, Jackson DA, Erickson-Viitanen S, Sharpe TR, Hodge CN (1996) J Med Chem 39:3514","journal-title":"J Med Chem"},{"key":"9210_CR18","doi-asserted-by":"crossref","first-page":"18","DOI":"10.1002\/qsar.19880070105","volume":"7","author":"RD Cramer III","year":"1988","unstructured":"Cramer RD III, Bunce JD, Patterson DE, Frank IE (1988) Quant Struct-Act Relat 7:18","journal-title":"Quant Struct-Act Relat"},{"key":"9210_CR19","unstructured":"CQSAR program, Biobyte Corp., 201 W. 4th street, Claremont, CA 91711"},{"key":"9210_CR20","doi-asserted-by":"crossref","first-page":"1281","DOI":"10.1021\/cr00020a001","volume":"93","author":"A Leo","year":"1993","unstructured":"Leo A (1993) Chem Rev 93:1281","journal-title":"Chem Rev"},{"key":"#cr-split#-9210_CR21.1","unstructured":"(a) Hansch C, Leo A (eds) (1995) Exploring QSAR: fundamentals and applications in chemistry and biology. American Chemical Society, Washington;"},{"key":"#cr-split#-9210_CR21.2","unstructured":"(b) Hansch C, Leo A, Hoekman D (eds) Exploring QSAR: hydrophobic, electronic and steric constants. American Chemical Society, Washington"},{"key":"9210_CR22","doi-asserted-by":"crossref","first-page":"5819","DOI":"10.1016\/j.bmc.2004.08.036","volume":"12","author":"R Garg","year":"2004","unstructured":"Garg R, Bhhatarai B (2004) Bioorg Med Chem 12:5819","journal-title":"Bioorg Med Chem"},{"key":"#cr-split#-9210_CR23.1","doi-asserted-by":"crossref","unstructured":"(a) Koshland DE Jr (1958) Proc Natl Acad Sci USA 44:98;","DOI":"10.1073\/pnas.44.2.98"},{"key":"#cr-split#-9210_CR23.2","unstructured":"(b) Koshland DE Jr, Boyer PD (eds) (1970) The enzymes, vol 1. Academic Press, New York, p 342"},{"key":"#cr-split#-9210_CR24.1","doi-asserted-by":"crossref","unstructured":"(a) Hansch C, Klein T (1986) Acc Chem Res 19:392;","DOI":"10.1021\/ar00132a003"},{"key":"#cr-split#-9210_CR24.2","doi-asserted-by":"crossref","unstructured":"(b) Kubinyi H (ed) (1993) QSAR: Hansch analysis and related approaches. VCH, New York","DOI":"10.1002\/9783527616824"},{"key":"#cr-split#-9210_CR25.1","doi-asserted-by":"crossref","unstructured":"(a) Monod J, Changeux J-P, Jacob F (1963) J Mol Biol 6:306;","DOI":"10.1016\/S0022-2836(63)80091-1"},{"key":"#cr-split#-9210_CR25.2","doi-asserted-by":"crossref","unstructured":"(b) Monod J, Wyman J, Changeux J-P (1965) J Mol Biol 12:88","DOI":"10.1016\/S0022-2836(65)80285-6"},{"key":"#cr-split#-9210_CR26.1","doi-asserted-by":"crossref","unstructured":"(a) Toh H, Ono M, Saigo K, Miyata T (1985) Nature 315:691;","DOI":"10.1038\/315691a0"},{"key":"#cr-split#-9210_CR26.2","doi-asserted-by":"crossref","unstructured":"(b) Miller M, Jaskolski M, Rao JKM, Leis J, Wlodawer A (1989) Nature 337:576","DOI":"10.1038\/337576a0"},{"key":"9210_CR27","doi-asserted-by":"crossref","first-page":"221","DOI":"10.1016\/j.bbapap.2005.07.041","volume":"1754","author":"JA McCammon","year":"2005","unstructured":"McCammon JA (2005) Biochim Biophys Acta 1754:221","journal-title":"Biochim Biophys Acta"},{"key":"#cr-split#-9210_CR28.1","doi-asserted-by":"crossref","unstructured":"(a) Perryman AL, Lin J-H, McCammon JA (2004) Protein Sci 13:1108;","DOI":"10.1110\/ps.03468904"},{"key":"#cr-split#-9210_CR28.2","doi-asserted-by":"crossref","unstructured":"(b) Perryman AL, Lin J-H, McCammon JA (2006) Chem Biol Drug Des 67:336;","DOI":"10.1111\/j.1747-0285.2006.00382.x"},{"key":"#cr-split#-9210_CR28.3","doi-asserted-by":"crossref","unstructured":"(c) Perryman AL, Lin J-H, McCammon JA (2006) Biopolymers 82:272","DOI":"10.1002\/bip.20497"},{"key":"9210_CR29","doi-asserted-by":"crossref","first-page":"132","DOI":"10.1016\/j.drudis.2006.12.011","volume":"12","author":"V Hornak","year":"2007","unstructured":"Hornak V, Simmerling C (2007) Drug Discov Today 12:132","journal-title":"Drug Discov Today"},{"key":"9210_CR30","doi-asserted-by":"crossref","first-page":"1359","DOI":"10.1021\/cr960370z","volume":"97","author":"RE Babine","year":"1997","unstructured":"Babine RE, Bender SL (1997) Chem Rev 97:1359","journal-title":"Chem Rev"},{"key":"9210_CR31","doi-asserted-by":"crossref","first-page":"23","DOI":"10.1007\/BF02171654","volume":"1","author":"K Appelt","year":"1993","unstructured":"Appelt K (1993) Perspect Drug Discov Des 1:23","journal-title":"Perspect Drug Discov Des"},{"key":"9210_CR32","doi-asserted-by":"crossref","first-page":"433","DOI":"10.1002\/prot.20232","volume":"57","author":"K Gunasekaran","year":"2004","unstructured":"Gunasekaran K, Ma B, Nussinov R (2004) Proteins 57:433","journal-title":"Proteins"}],"container-title":["Journal of Computer-Aided Molecular Design"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s10822-008-9210-y.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/article\/10.1007\/s10822-008-9210-y\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s10822-008-9210-y","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,5,17]],"date-time":"2023-05-17T08:31:10Z","timestamp":1684312270000},"score":1,"resource":{"primary":{"URL":"http:\/\/link.springer.com\/10.1007\/s10822-008-9210-y"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2008,3,27]]},"references-count":48,"journal-issue":{"issue":"10","published-print":{"date-parts":[[2008,10]]}},"alternative-id":["9210"],"URL":"https:\/\/doi.org\/10.1007\/s10822-008-9210-y","relation":{},"ISSN":["0920-654X","1573-4951"],"issn-type":[{"value":"0920-654X","type":"print"},{"value":"1573-4951","type":"electronic"}],"subject":[],"published":{"date-parts":[[2008,3,27]]}}}