Comparative residue interaction analysis (CoRIA): a 3D-QSAR approach to explore the binding contributions of active site residues with ligands
Tóm tắt
Từ khóa
Tài liệu tham khảo
Müller K (ed) (1995) Perspectives in drug discovery and design, vol 3. ESCOM Science Publishers, BV, Leiden, pp 1–20
Charifson PS (ed) (1997) Practical application of computer-aided drug design, Marcel Dekker Inc., pp 355–410
Delphi 2.5, User Guide. Accelrys Inc., San Diego, CA, USA
Charifson PS (ed) (1997) Practical application of computer-aided drug design. Marcel Dekker Inc., pp 495–538
Knetgel RMA, Grootenhuis PDJ (1998) Perspect Drug Discov Des 9–11:99
Williams DH, Cox JPL, Doig AJ, Garner M, Gerhard U, Kaye PT, Lal AR, Nicholls IA, Salter J, Mitchell RC (1991) J Am Chem Soc 113:7020
InsightII, version 2000.3 L. Accelrys Inc., San Diego, CA, USA
Affinity v. 98 Molecular Modeling Program Package. Accelrys Inc. San Diego, CA, 1998
Cerius2 version 4.8. Accelrys Inc., San Diego CA, 1999
Khanna IK, Weier RM, Yu Y, Collins PW, Miyashiro JM, Koboldt CM, Veenhuizen AW, Currie JL, Seibert K, Isakson PC (1997) J Med Chem 40:1619
Khanna IK, Weier RM, Yu Y, Xu XD, Koszyk FJ, Collins PW, Koboldt CM, Veenhuizen AW, Perkins WE, Casler JJ, Masferrer JL, Zhang YY, Gregory SA, Seibert K, Isakson PC (1997) J Med Chem 40:1634
Khanna IK, Yu Y, Huff RM, Weier RM, Xu X, Koszyk FJ, Collins PW, Cogburn JN, Isakson PC, Koboldt CM, Masferrer JL, Perkins WE, Seibert K, Veenhuizen AW, Yuan J, Yang DC, Zhang YY (2000) J Med Chem 43:3168
Reitz DB, Li JJ, Norton MB, Reinhart EJ, Collins JT, Anderson GD, Gregory SA, Koboldt CM, Perkins WE, Seibert K, Isakson PC (1994) J Med Chem 38:3878
Li JJ, Anderson GD, Burton EG, Cogburn JN, Collins JT, Garland DJ, Gregory SA, Huang HC, Isakson PC, Koboldt CM, Logusch EW, Norton MB, Perkins WE, Reinhart EJ, Seibert K, Veenhuizen AW, Zhang Y, Reitz DB (1995) J Med Chem 38:4570
Li JJ, Norton MB, Reinhart EJ, Anderson GD, Gregory SA, Isakson PC, Koboldt CM, Masferrer JL, Perkins WE, Seibert K, Zhang Y, Zweifel BS, Reitz DB (1996) J Med Chem 39:1846
Penning TD, Talley JJ, Bertenshaw SR, Carter JS, Collins PW, Docter S, Graneto MJ, Lee LF, Malecha JW, Miyashiro JM, Rogers RS, Rogier DJ, Yu SS, Anderson GD, Burton EG, Cogburn JN, Gregory SA, Koboldt CM, Perkins WE, Seibert K, Veenhuizen AW, Zhang YY, Isakson PC (1997) J Med Chem 40:1347
Huang HC, Li JJ, Garland DJ, Chamberlain TS, Reinhart EJ, Manning RE, Seibert K, Koboldt CM, Gregory SA, Anderson GD, Veenhuizen AW, Zhang Y, Perkins WE, Burton EG, Cogburn JN, Isakson PC, Reitz DB (1996) J Med Chem 39:253
Talley JJ, Brown DL, Carter JS, Graneto MJ, Koboldt CM, Masferrer JL, Perkins WE, Rogers RS, Shaffer AF, Zhang YY, Zweifel BS, Seibert K (2000) J Med Chem 43:775
Lee LF (1996) Pat. No. WO 9624585, US
Song Y, Connor DT, Doubleday R, Sorenson RJ, Sercel AD, Unangst PC, Roth BD, Gilbertsen RB, Chan K, Schrier DJ, Guglietta A, Bornemeier DA, Dyer RD (1999) J Med Chem 42:1151
Song Y, Connor DT, Sercel AD, Sorenson RJ, Doubleday R, Unangst PC, Roth BD, Gilbertsen RB, Chan K, Schrier DJ, Guglietta A, Bornemeier DA, Dyer RD (1999) J Med Chem 42:1161
Kurumbail RG, Stevens AM, Gierse JK, McDonald JJ, Stegeman RA, Pak JY, Gildehaus D, Miyashiro JM, Penning TD, Seibert K, Isakson PC, Stallings WC (1996) Nature 384:644
Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE (2000) Nucleic Acids Res 28:235
MS, QCPE. Creative Arts Bldg. 181, Indiana University, Bloomington, IN 47405
Maple JR, Hwang M-J, Stockfisch TP, Dinur U, Waldman M, Ewig CS, Hagler AT (1994) J Comput Chem 15:162
Kubinyi H. (ed) (1993) 3D QSAR in drug design: theory, methods and applications, ESCOM, Leiden, pp 523–550
Cerius2 4.8, User’s Manual. Accelrys Inc., San Diego, CA, USA
Kalgutkar AS, Crews BC, Rowlinson SW, Marnett AB, Kozak KR, Remmel RP, Marnett LJ (2000) Proc Natl Acad Sci USA 97:925
Greig GM, Francis DA, Falgueyret JP, Ouellet M, Percival MD, Roy P, Bayly C, Mancini JA, O’Neil GP (1997) Mol Pharmacol 52:829
Desiraju GR, Gopalakrishnan B, Jetti RKR, Raveendra D, Sarma JARP, Subramanya HS (2000) Molecules 7:945
Liu H, Huang X, Shen J, Luo X, Li M, Xiong H, Chen G, Shen J, Yang Y, Jiang H, Chen K (2002) J Med Chem 45:4816
