메뉴 건너뛰기




Volumn 58, Issue 5, 2003, Pages 357-361

3D QSAR studies of the interaction between β-tubulin and microtubule stabilizing antimitotic agents (MSAA). A combined pharmacophore generation and pseudoreceptor modeling approach applied to taxanes and epothilones

Author keywords

3D QSAR; Epothilones; Pseudoreceptor modeling; Taxanes; Tubulin

Indexed keywords

ANTIMITOTIC AGENT; BETA TUBULIN; EPOTHILONE DERIVATIVE; TAXANE DERIVATIVE;

EID: 0037407830     PISSN: 0014827X     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0014-827X(03)00052-1     Document Type: Article
Times cited : (33)

References (34)
  • 1
    • 0026300429 scopus 로고
    • Taxol: A new and effective anticancer drug
    • Slichenmyer W.J., Von Hoff D.D. Taxol: a new and effective anticancer drug. Anticancer Drugs. 2:1991;3519-3530.
    • (1991) Anticancer Drugs , vol.2 , pp. 3519-3530
    • Slichenmyer, W.J.1    Von Hoff, D.D.2
  • 2
    • 0028270476 scopus 로고
    • Peripheral neuropathy from taxol and cisplatin combination chemotherapy: Clinical and electrophysiological studies
    • Chaudhry V., Rowinsky E.K., Sartorius S.E., Donehower R.C., Cornblath D.R. Peripheral neuropathy from taxol and cisplatin combination chemotherapy: clinical and electrophysiological studies. Ann. Neurol. 35:1994;304-311.
    • (1994) Ann. Neurol. , vol.35 , pp. 304-311
    • Chaudhry, V.1    Rowinsky, E.K.2    Sartorius, S.E.3    Donehower, R.C.4    Cornblath, D.R.5
  • 5
    • 0034939512 scopus 로고    scopus 로고
    • The synthesis, discovery, and development of a highly promising class of microtubule stabilization agents: Curative effects of desoxyepothilones B and F against human tumor xenografts in nude mice
    • Chou T.C., O'Conner O.A., Tong W.P., Guan Y., Zhang Z.G., Stachel S.J., Lee C., Danishefsky S.J. The synthesis, discovery, and development of a highly promising class of microtubule stabilization agents: curative effects of desoxyepothilones B and F against human tumor xenografts in nude mice. Proc. Natl. Acad. Sci. USA. 98:2001;8113-8118.
    • (2001) Proc. Natl. Acad. Sci. USA , vol.98 , pp. 8113-8118
    • Chou, T.C.1    O'Conner, O.A.2    Tong, W.P.3    Guan, Y.4    Zhang, Z.G.5    Stachel, S.J.6    Lee, C.7    Danishefsky, S.J.8
  • 6
    • 0034857182 scopus 로고    scopus 로고
    • The epothilones, eleutherobins, and related types of molecules
    • Stachel S.J., Biswas K., Danishefsky S.J. The epothilones, eleutherobins, and related types of molecules. Curr. Pharm. Des. 7:2001;1277-1290.
    • (2001) Curr. Pharm. Des. , vol.7 , pp. 1277-1290
    • Stachel, S.J.1    Biswas, K.2    Danishefsky, S.J.3
  • 7
    • 4244140377 scopus 로고    scopus 로고
    • New taxanes and epothilone derivatives in clinical trials
    • Lavelle F. New taxanes and epothilone derivatives in clinical trials. Bull. Cancer. 89:2002;343-350.
    • (2002) Bull. Cancer , vol.89 , pp. 343-350
    • Lavelle, F.1
  • 9
    • 0035462851 scopus 로고    scopus 로고
    • Clinical trials referral resource. Current clinical trials of epothilone B analogue (BMS-247550)
    • Colevas A.D., West P.J., Cheson B.D. Clinical trials referral resource. Current clinical trials of epothilone B analogue (BMS-247550). Oncology. 15:2001;1168-1169.
    • (2001) Oncology , vol.15 , pp. 1168-1169
    • Colevas, A.D.1    West, P.J.2    Cheson, B.D.3
  • 10
    • 0034872323 scopus 로고    scopus 로고
    • Ovarian cancer
    • Seiden M.V. Ovarian cancer. Oncologist. 6:2001;327-332.
    • (2001) Oncologist , vol.6 , pp. 327-332
    • Seiden, M.V.1
  • 11
    • 0034988902 scopus 로고    scopus 로고
    • Treatment with inhibitors of caspases, that are substrates of drug transporters, selectively permits chemotherapy-induced apoptosis in multidrug-resistant cells but protects normal cells
    • Blagosklonny M.V. Treatment with inhibitors of caspases, that are substrates of drug transporters, selectively permits chemotherapy-induced apoptosis in multidrug-resistant cells but protects normal cells. Leukemia. 15:2001;936-941.
    • (2001) Leukemia , vol.15 , pp. 936-941
    • Blagosklonny, M.V.1
  • 13
    • 0035834521 scopus 로고    scopus 로고
    • Refined structure of αβ-tubulin at 3.5 Å resolution
    • Lowe J., Li H., Downing K.H., Nogales E. Refined structure of αβ-tubulin at 3.5 Å resolution. J. Mol. Biol. 313:2001;1045-1057.
    • (2001) J. Mol. Biol. , vol.313 , pp. 1045-1057
    • Lowe, J.1    Li, H.2    Downing, K.H.3    Nogales, E.4
  • 14
    • 0030591859 scopus 로고    scopus 로고
    • A model for the taxol (paclitaxel)/epothilone pharmacophore
    • Winkler J., Axelson P.H. A model for the taxol (paclitaxel)/epothilone pharmacophore. Bioorg. Med. Chem. Lett. 6:1996;2963-2966.
    • (1996) Bioorg. Med. Chem. Lett. , vol.6 , pp. 2963-2966
    • Winkler, J.1    Axelson, P.H.2
  • 17
    • 0034636084 scopus 로고    scopus 로고
    • A common pharmacophore for taxol and the epothilones based on the biological activity of a taxane molecule lacking a C-13 side chain
    • He L., Jagtap P.G., Kingston D.G.I., Shen H.-J., Orr G.A., Horwitz S.B. A common pharmacophore for taxol and the epothilones based on the biological activity of a taxane molecule lacking a C-13 side chain. Biochemistry. 39:2000;3972-3978.
    • (2000) Biochemistry , vol.39 , pp. 3972-3978
    • He, L.1    Jagtap, P.G.2    Kingston, D.G.I.3    Shen, H.-J.4    Orr, G.A.5    Horwitz, S.B.6
  • 18
    • 0035144336 scopus 로고    scopus 로고
    • Comparative molecular field analysis (CoMFA) study of epothilones-tubulin depolymerization inhibitors: Pharmacophore development using 3D QSAR methods
    • Lee K.W., Briggs J.M. Comparative molecular field analysis (CoMFA) study of epothilones-tubulin depolymerization inhibitors: pharmacophore development using 3D QSAR methods. J. Comput. Aid. Mol. Des. 15:2001;41-55.
    • (2001) J. Comput. Aid. Mol. Des. , vol.15 , pp. 41-55
    • Lee, K.W.1    Briggs, J.M.2
  • 19
    • 0033565018 scopus 로고    scopus 로고
    • A unified and quantitative receptor model for the microtubule binding of paclitaxel and epothilone
    • Wang M., Xia X., Kim Y., Hwang D., Jansen J.H., Botta M., Liotta D.C., Snyder J.P. A unified and quantitative receptor model for the microtubule binding of paclitaxel and epothilone. Org. Lett. 1:1999;43-46.
    • (1999) Org. Lett. , vol.1 , pp. 43-46
    • Wang, M.1    Xia, X.2    Kim, Y.3    Hwang, D.4    Jansen, J.H.5    Botta, M.6    Liotta, D.C.7    Snyder, J.P.8
  • 21
    • 0003641220 scopus 로고    scopus 로고
    • Accelrys, Inc., 9685 Scranton Road, San Diego, CA
    • Catalyst, version 4.6, Accelrys, Inc., 9685 Scranton Road, San Diego, CA.
    • Catalyst, Version 4.6
  • 23
    • 0034850721 scopus 로고    scopus 로고
    • General and recent aspects of the chemistry and structure-activity relationships of taxoids
    • Guéritte F. General and recent aspects of the chemistry and structure-activity relationships of taxoids. Curr. Pharm. Des. 7:2001;1229-1249.
    • (2001) Curr. Pharm. Des. , vol.7 , pp. 1229-1249
    • Guéritte, F.1
  • 26
    • 0025827992 scopus 로고
    • Biologically active taxol analogues with deleted A-ring side chain substituents and variable C-2′ configurations
    • Swindell C.S., Krauss N.E., Horwitz S.B., Ringel I. Biologically active taxol analogues with deleted A-ring side chain substituents and variable C-2′ configurations. J. Med. Chem. 34:1991;1176-1184.
    • (1991) J. Med. Chem. , vol.34 , pp. 1176-1184
    • Swindell, C.S.1    Krauss, N.E.2    Horwitz, S.B.3    Ringel, I.4
  • 29
    • 85031188221 scopus 로고    scopus 로고
    • Biographics Laboratory, Basel, Switzerland
    • PrGen, version 2.1.1, Biographics Laboratory, Basel, Switzerland.
    • PrGen, Version 2.1.1
  • 30
    • 0031954203 scopus 로고    scopus 로고
    • PrGen: Pseudoreceptor modeling using receptor-mediated ligand alignment and pharmacophore equilibration
    • Zbinden P., Dobler M., Folkers G., Vedani A. PrGen: pseudoreceptor modeling using receptor-mediated ligand alignment and pharmacophore equilibration. Quant. Struct.-Act. Relat. 17:1998;122-130.
    • (1998) Quant. Struct.-Act. Relat. , vol.17 , pp. 122-130
    • Zbinden, P.1    Dobler, M.2    Folkers, G.3    Vedani, A.4
  • 31
    • 85031185560 scopus 로고    scopus 로고
    • note
    • The correlation coefficient of 0.81 and the root mean square deviation of 0.85 indicated a good agreement between experimental and calculated free energy of ligand binding.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.