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Volumn 50, Issue 12, 2010, Pages 2141-2150

Molecular topology analysis of the differences between drugs, clinical candidate compounds, and bioactive molecules

Author keywords

[No Author keywords available]

Indexed keywords

TOPOLOGY;

EID: 78650699097     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci1002558     Document Type: Article
Times cited : (19)

References (22)
  • 1
    • 0031024171 scopus 로고    scopus 로고
    • Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
    • Lipinski, C. A.; Lombardo, F.; Dominy, B. W.; Feeney, P. J. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings Adv. Drug Delivery Rev. 1997, 23, 3-25
    • (1997) Adv. Drug Delivery Rev. , vol.23 , pp. 3-25
    • Lipinski, C.A.1    Lombardo, F.2    Dominy, B.W.3    Feeney, P.J.4
  • 2
    • 0035438391 scopus 로고    scopus 로고
    • Is there a difference between leads and drugs? A historical perspective
    • Oprea, T. I.; Davis, A. M.; Teague, S. J.; Leeson, P. D. Is there a difference between leads and drugs? A historical perspective J. Chem. Inf. Comput. Sci. 2001, 41, 1308-35
    • (2001) J. Chem. Inf. Comput. Sci. , vol.41 , pp. 1308-1335
    • Oprea, T.I.1    Davis, A.M.2    Teague, S.J.3    Leeson, P.D.4
  • 3
    • 0037468884 scopus 로고    scopus 로고
    • A comparison of physiochemical property profiles of development and marketed oral drugs
    • Wenlock, M. C.; Austin, R. P.; Barton, P.; Davis, A. M.; Leeson, P. D. A comparison of physiochemical property profiles of development and marketed oral drugs J. Med. Chem. 2003, 46, 1250-1256
    • (2003) J. Med. Chem. , vol.46 , pp. 1250-1256
    • Wenlock, M.C.1    Austin, R.P.2    Barton, P.3    Davis, A.M.4    Leeson, P.D.5
  • 4
    • 33745126636 scopus 로고    scopus 로고
    • Dependence of molecular properties on proteomic family for marketed oral drugs
    • Vieth, M.; Sutherland, J. J. Dependence of molecular properties on proteomic family for marketed oral drugs J. Med. Chem. 2006, 49, 3451-3453
    • (2006) J. Med. Chem. , vol.49 , pp. 3451-3453
    • Vieth, M.1    Sutherland, J.J.2
  • 5
    • 72149091750 scopus 로고    scopus 로고
    • Physicochemical property profiles of marketed drugs, clinical candidates and bioactive compounds
    • Tyrchan, C.; Blomberg, N.; Engkvist, O.; Kogej, T.; Muresan, S. Physicochemical property profiles of marketed drugs, clinical candidates and bioactive compounds Bioorg. Med. Chem. Lett. 2009, 19, 6943-6947
    • (2009) Bioorg. Med. Chem. Lett. , vol.19 , pp. 6943-6947
    • Tyrchan, C.1    Blomberg, N.2    Engkvist, O.3    Kogej, T.4    Muresan, S.5
  • 6
    • 35748934487 scopus 로고    scopus 로고
    • The influence of drug-like concepts on decision-making in medicinal chemistry
    • Leeson, P. D.; Springthorpe, B. The influence of drug-like concepts on decision-making in medicinal chemistry Nat. Rev. Drug Discovery 2007, 6, 881-890
    • (2007) Nat. Rev. Drug Discovery , vol.6 , pp. 881-890
    • Leeson, P.D.1    Springthorpe, B.2
  • 7
    • 71049126548 scopus 로고    scopus 로고
    • Escape from Flatland: Increasing saturation as an approach to improving clinical success
    • Lovering, F.; Bikker, J.; Humblet, C. Escape from Flatland: Increasing saturation as an approach to improving clinical success J. Med. Chem. 2009, 52, 6752-6756
    • (2009) J. Med. Chem. , vol.52 , pp. 6752-6756
    • Lovering, F.1    Bikker, J.2    Humblet, C.3
  • 8
    • 70350409235 scopus 로고    scopus 로고
    • The impact of aromatic ring count on compound developability-Are too many aromatic rings a liability in drug design
    • Ritchie, T. J.; Macdonald, S. J. The impact of aromatic ring count on compound developability-Are too many aromatic rings a liability in drug design Drug Discovery Today 2009, 14, 1011-1020
    • (2009) Drug Discovery Today , vol.14 , pp. 1011-1020
    • Ritchie, T.J.1    MacDonald, S.J.2
  • 9
    • 0029894013 scopus 로고    scopus 로고
    • The properties of known drugs. 1. Molecular Frameworks
    • Bemis, G. W.; Murcko, M. A. The properties of known drugs. 1. Molecular Frameworks J. Med. Chem. 1996, 39, 2887-2893
    • (1996) J. Med. Chem. , vol.39 , pp. 2887-2893
    • Bemis, G.W.1    Murcko, M.A.2
  • 10
    • 34547265045 scopus 로고    scopus 로고
    • Properties and architecture of drugs and natural products revisited
    • Grabowski, K.; Schneider, G. Properties and architecture of drugs and natural products revisited Curr. Chem. Biol. 2007, 1, 115-127
    • (2007) Curr. Chem. Biol. , vol.1 , pp. 115-127
    • Grabowski, K.1    Schneider, G.2
  • 11
    • 0035347869 scopus 로고    scopus 로고
    • Scaffold architecture and pharmacophoric properties of natural products and trade drugs: Application in the design of natural product-based combinatorial libraries
    • Lee, M. L.; Schneider, G. Scaffold architecture and pharmacophoric properties of natural products and trade drugs: Application in the design of natural product-based combinatorial libraries J. Comb. Chem. 2001, 3, 284-289
    • (2001) J. Comb. Chem. , vol.3 , pp. 284-289
    • Lee, M.L.1    Schneider, G.2
  • 12
    • 75749154412 scopus 로고    scopus 로고
    • Scaffold distributions in bioactive molecules, clinical trials compounds, and drugs
    • Hu, Y.; Bajorath, J. Scaffold distributions in bioactive molecules, clinical trials compounds, and drugs ChemMedChem 2009, 5, 187-190
    • (2009) ChemMedChem , vol.5 , pp. 187-190
    • Hu, Y.1    Bajorath, J.2
  • 13
    • 75749105013 scopus 로고    scopus 로고
    • Drug and drug candidate building block analysis
    • Wang, J.; Hou, T. Drug and drug candidate building block analysis J. Chem. Inf. Model. 2010, 50, 55-67
    • (2010) J. Chem. Inf. Model. , vol.50 , pp. 55-67
    • Wang, J.1    Hou, T.2
  • 14
    • 0000106154 scopus 로고    scopus 로고
    • Algorithm for naming molecular equivalence classes represented by labeled pseudographs
    • Xu, Y. J.; Johnson, M. Algorithm for naming molecular equivalence classes represented by labeled pseudographs J. Chem. Inf. Comput. Sci. 2001, 41, 181-185
    • (2001) J. Chem. Inf. Comput. Sci. , vol.41 , pp. 181-185
    • Xu, Y.J.1    Johnson, M.2
  • 15
    • 0036662353 scopus 로고    scopus 로고
    • Using molecular equivalence numbers to visually explore structural features that distinguish chemical libraries
    • Xu, Y. J.; Johnson, M. Using molecular equivalence numbers to visually explore structural features that distinguish chemical libraries J. Chem. Inf. Comput. Sci. 2002, 42, 912-926
    • (2002) J. Chem. Inf. Comput. Sci. , vol.42 , pp. 912-926
    • Xu, Y.J.1    Johnson, M.2
  • 16
    • 78650709408 scopus 로고    scopus 로고
    • GVK Biosciences Private Ltd.: Hyderabad, India.
    • GVKBio databases 2009; GVK Biosciences Private Ltd.: Hyderabad, India, 2009.
    • (2009) GVKBio Databases 2009
  • 17
    • 78650699543 scopus 로고    scopus 로고
    • BioByte ClogP, version 4.3, (accessed).
    • BioByte ClogP, version 4.3, http://www.biobyte.com (accessed Feb. 20, 2010).
    • (2010)
  • 18
    • 33646855259 scopus 로고    scopus 로고
    • version 7.5; Accelrys: San Diego, CA.
    • Pipeline Pilot, version 7.5; Accelrys: San Diego, CA.
    • Pipeline Pilot
  • 19
    • 84867534988 scopus 로고    scopus 로고
    • OpenEye Scientific Software, Inc.: Santa Fe, NM.
    • OEChem toolkit 1.7.2; OpenEye Scientific Software, Inc.: Santa Fe, NM.
    • OEChem Toolkit 1.7.2
  • 20
    • 13744259216 scopus 로고
    • Ringerkennung in chemischen Strukturen mit dem Computer
    • Sorkau, E. Ringerkennung in chemischen Strukturen mit dem Computer Wiss. 2. Tech. Hochsch. Leuna-Meuseburg. 1985, 27, 765-770
    • (1985) Wiss. 2. Tech. Hochsch. Leuna-Meuseburg. , vol.27 , pp. 765-770
    • Sorkau, E.1
  • 21
    • 78650706252 scopus 로고    scopus 로고
    • version 7.0; SAS Institute Inc.: Cary, NC.
    • JMP, version 7.0; SAS Institute Inc.: Cary, NC.
    • JMP
  • 22
    • 78149236457 scopus 로고    scopus 로고
    • Investigation of the relationship between the topology and selectivity for druglike molecules
    • Yang, Y.; Chen, H.; Nilsson, I.; Sorel, M.; Engkvist, O. Investigation of the relationship between the topology and selectivity for druglike molecules J. Med. Chem. 2010, 53 (21) 7709-7714
    • (2010) J. Med. Chem. , vol.53 , Issue.21 , pp. 7709-7714
    • Yang, Y.1    Chen, H.2    Nilsson, I.3    Sorel, M.4    Engkvist, O.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.