Literature DB >> 9834903

Molecular modeling study of tubulosine and other related ipecac alkaloids.

M Troconis1, W Ma, D E Nichols, J McLaughlin.   

Abstract

A molecular modeling study of two alkaloids, tubulosine and psychotrine, isolated from the sap of Pogonopus speciosus, and other related ipecac alkaloids, showed that these flexible alkaloids favor a nonplanar structure. The biologically active compounds had conformations with a similar angle between aromatic ring A, the nitrogen in ring B, and ring D. This angle was related to the biological activity reported for these compounds. Our results support the hypothesis of two different types of receptor interactions, one for the nonplanar compounds and another for the planar compounds.

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Year:  1998        PMID： 9834903     DOI： 10.1023/a:1008019720578

Source DB:  PubMed          Journal:  J Comput Aided Mol Des        ISSN： 0920-654X            Impact factor:   3.686


  6 in total

1.  [Molecular modelling of usambarensine, tubulosine and emetine, cytotoxic amebicide alkaloids].

Authors:  J Quetin-Leclercq; L Dupont; C W Wright; J D Phillipson; D C Warhurst; L Angenot
Journal:  J Pharm Belg       Date:  1991 Mar-Apr

2.  Tubulosine: an antitumor constituent of Pogonopus speciosus.

Authors:  W W Ma; J E Anderson; A T McKenzie; S R Byrn; J L McLaughlin; M S Hudson
Journal:  J Nat Prod       Date:  1990 Jul-Aug       Impact factor: 4.050

3.  Brine shrimp: a convenient general bioassay for active plant constituents.

Authors:  B N Meyer; N R Ferrigni; J E Putnam; L B Jacobsen; D E Nichols; J L McLaughlin
Journal:  Planta Med       Date:  1982-05       Impact factor: 3.352

4.  Structural determinants responsible for the biological activity of (-)-emetine, (-)-cryptopleurine, and (-)-tylocrebrine: structure-activity relationship among related compounds.

Authors:  R S Gupta; J J Krepinsky; L Siminovitch
Journal:  Mol Pharmacol       Date:  1980-07       Impact factor: 4.436

5.  Modification and evaluation of the potato disc assay and antitumor screening of euphorbiaceae seeds.

Authors:  N R Ferrigni; J E Putnam; B Anderson; L B Jacobsen; D E Nichols; D S Moore; J L McLaughlin; R G Powell; C R Smith
Journal:  J Nat Prod       Date:  1982 Nov-Dec       Impact factor: 4.050

6.  Quantitation of the specific interaction of [14a-3H]cryptopleurine with 80S and 40S ribosomal species from the yeast Saccharomyces cerevisiae.

Authors:  H Dölz; D Vázquez; A Jiménez
Journal:  Biochemistry       Date:  1982-06-22       Impact factor: 3.162
  6 in total
  4 in total

1.  Design, synthesis and cytotoxicity studies of dithiocarbamate ester derivatives of emetine in prostate cancer cell lines.

Authors:  Emmanuel S Akinboye; Zebalda D Bamji; Bernard Kwabi-Addo; David Ejeh; Robert L Copeland; Samuel R Denmeade; Oladapo Bakare
Journal:  Bioorg Med Chem       Date:  2015-07-04       Impact factor: 3.641

Review 2.  Different Aspects of Emetine's Capabilities as a Highly Potent SARS-CoV-2 Inhibitor against COVID-19.

Authors:  Mehdi Valipour
Journal:  ACS Pharmacol Transl Sci       Date:  2022-05-23

3.  Anticancer activities of emetine prodrugs that are proteolytically activated by the prostate specific antigen (PSA) and evaluation of in vivo toxicity of emetine derivatives.

Authors:  Emmanuel S Akinboye; Marc D Rosen; Oladapo Bakare; Samuel R Denmeade
Journal:  Bioorg Med Chem       Date:  2017-11-10       Impact factor: 3.641

4.  Design, synthesis, and evaluation of pH-dependent hydrolyzable emetine analogues as treatment for prostate cancer.

Authors:  Emmanuel S Akinboye; Marc D Rosen; Samuel R Denmeade; Bernard Kwabi-Addo; Oladapo Bakare
Journal:  J Med Chem       Date:  2012-08-16       Impact factor: 7.446
  4 in total

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