Topology of electron density and electrostatic potential of HIV reverse transcriptase inhibitor zidovudine from high resolution X-ray diffraction and charge density analysis
Tài liệu tham khảo
UNAIDS_FactSheet_en.pdf.
Palmisano, 2011, Ann. Ist. Super Sanita, 47, 44
Hu, 2012, Cold Spring Harb Perspect. Med, 2a006882, 1
Lindback, 1999, J. Infect. Dis., 179, 1549, 10.1086/314777
Veal, 1995, Gen. Pharmacol., 26, 1469, 10.1016/0306-3623(95)00047-X
Huang, 1992, J. Biol. Chem., 267, 2817, 10.1016/S0021-9258(18)45952-2
Mitsuya, 1990, Science, 249, 1533, 10.1126/science.1699273
Clair, 1987, Antimicrob. Agents Chemother., 31, 1972, 10.1128/AAC.31.12.1972
Ren, 1998, Proc. Natl. Acad. Sci. U.S.A., 95, 9518, 10.1073/pnas.95.16.9518
Boyer, 2001, J. Virol., 75, 4832, 10.1128/JVI.75.10.4832-4842.2001
Scott, 2011, Viruses, 3, 20, 10.3390/v3010020
McLeod, 1992, Ann. Intern. Med., 117, 487, 10.7326/0003-4819-117-6-487
Brinkman, 1998, AIDS, 12, 1735, 10.1097/00002030-199814000-00004
Koczor, 2010, Expet Opin. Drug Metabol. Toxicol., 6, 1493, 10.1517/17425255.2010.526602
Samuels, 2006, IUBMB Life, 58, 403, 10.1080/15216540600791571
David Stephen, 2011, J. Mol. Struct., 989, 122, 10.1016/j.molstruc.2011.01.014
David Stephen, 2012, Cryst. Growth Des., 12, 4357, 10.1021/cg300269n
Rajalakshmi, 2014, Acta Crystallogr. B, 70, 331, 10.1107/S2052520613033209
Rajalakshmi, 2014, Acta Crystallogr. B, 70, 568, 10.1107/S205252061303388X
Rajalakshmi, 2014, RSC Adv., 4, 57823, 10.1039/C4RA07953A
Zhurova, 2006, J. Am. Chem. Soc., 128, 8849, 10.1021/ja061080v
Zhurova, 2016, J. Phys. Chem. B, 120, 8882, 10.1021/acs.jpcb.6b05961
Kalaiarasi, 2016, Acta Crystallogr. B, 72, 775, 10.1107/S2052520616010581
Bouhmaida, 2009, Acta Crystallogr. B, 65, 1, 10.1107/S0108768109008271
Parrish, 2006, J. Phys. Chem. B, 110, 26442, 10.1021/jp065638x
Li, 2002, Proc. Natl. Acad. Sci. U.S.A., 99, 12132, 10.1073/pnas.192438999
Jelsch, 2000, Proc. Natl. Acad. Sci. U.S.A., 97, 3171, 10.1073/pnas.97.7.3171
Hirano, 2016, Nature, 534, 281, 10.1038/nature18001
Volkov, 2006
Bader, 1995
Krawczuk, 2014, Chem. Cent. J., 8, 1
Dovesi, 2005, Z. Kristallogr., 220, 571
R. Dovesi, V. R. Saunders, C. Roetti, R. Orlando, C. M. Zicovich-Wilson, F. Pascale, B. Civalleri, K. Doll, N. M. Harrison, I. J. Bush, P. D'Arco, and M. Llunell, CRYSTAL09 (2009), User's Manual. University of Torino, Italy.
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr, T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, and J. A. Pople, Gaussian, Inc., Wallingford CT, 2004.
2004
Blessing, 1997, J. Appl. Crystallogr., 30, 421, 10.1107/S0021889896014628
Sheldrick, 2008, Acta Crystallogr. A, 64, 112, 10.1107/S0108767307043930
Farrugia, 2012, J. Appl. Crystallogr., 45, 849, 10.1107/S0021889812029111
Spek, 2003, J. Appl. Crystallogr., 36, 7, 10.1107/S0021889802022112
Wolf, 2007
Spackman, 2009, CrystEngComm, 11, 19, 10.1039/B818330A
McKinnon, 2004, Acta Crystallogr. B, 60, 627, 10.1107/S0108768104020300
Madsen, 2006, J. Appl. Crystallogr., 39, 757, 10.1107/S0021889806026379
Allen, 1987, J. Chem. Soc. Perkin Trans., 2, S1
Volkov, 2001, Acta Crystallogr. A, 57, 272, 10.1107/S0108767300018547
Volkov, 2000, Acta Crystallogr. A, 56, 252, 10.1107/S0108767300001628
Parr, 1989
Hariharan, 1973, Theor. Chim. Acta, 28, 213, 10.1007/BF00533485
Cheeseman, 1992
Camerman, 1987, Proc. Natl. Acad. Sci. U.S.A., 84, 8239, 10.1073/pnas.84.23.8239
Maag, 1994, J. Med. Chem., 37, 431, 10.1021/jm00030a001
Dyer, 1988, Acta Crystallogr. C, 44, 767, 10.1107/S0108270188000368
Parthasarathy, 1988, Biochem. Biophys. Res. Commun., 152, 351, 10.1016/S0006-291X(88)80721-6
Birnbaum, 1987, Can. J. Chem., 65, 2135, 10.1139/v87-356
Gurskaya, 1986, Dokl. Akad. Nauk SSSR, 291, 854
Chen, 2009, Molecules, 14, 2656, 10.3390/molecules14072656
Kandhakumar, 2016, Can. J. Chem., 94, 126, 10.1139/cjc-2015-0416
Janoschek, 1993, Angew Chem. Int. Ed. Engl., 32, 230, 10.1002/anie.199302301
Harcourt, 1993, J. Mol. Struct., 300, 245, 10.1016/0022-2860(93)87022-2
Brockway, 1933, Proc. Natl. Acad. Sci. Unit. States Am., 19, 860, 10.1073/pnas.19.9.860
Das, 2012, Nat. Struct. Mol. Biol., 19, 253, 10.1038/nsmb.2223
Grabowski, 2006
Gatti, 2005, Z. Kristallogr., 220, 399
Espinosa, 2000, J. Chem. Phys., 113, 5686, 10.1063/1.1290612
Espinosa, 2002, J. Chem. Phys., 117, 5529, 10.1063/1.1501133
Gu, 1999, J. Am. Chem. Soc., 121, 9411, 10.1021/ja991795g
Koch, 1995, J. Phys. Chem., 99, 9747, 10.1021/j100024a016
Stash, 2002, J. Appl. Crystallogr., 35, 371, 10.1107/S0021889802003230
Desiraju, 1995, Angew. Chem. Int. Ed., 34, 2311, 10.1002/anie.199523111
Matta, 2003, Chem. Eur J., 9, 1940, 10.1002/chem.200204626
Desiraju, 1999
Dittrich, 2012, Struct. Bond, 147, 27, 10.1007/430_2012_78
Lien, 1982, J. Pharmacol. Sci., 71, 641, 10.1002/jps.2600710611
Spackman, 2007, ChemPhysChem, 8, 2051, 10.1002/cphc.200700339
Politzer, 2002, Theor. Chem. Acc., 108, 134, 10.1007/s00214-002-0363-9