Literature DB >> 7876897

Derivation of a 3D pharmacophore model for the angiotensin-II site one receptor.

K Prendergast1, K Adams, W J Greenlee, R B Nachbar, A A Patchett, D J Underwood.   

Abstract

A systematic search has been used to derive a hypothesis for the receptor-bound conformation of A-II antagonists at the AT1 receptor. The validity of the pharmacophore hypothesis has been tested using CoMFA, which included 50 diverse A-II antagonists, spanning four orders of magnitude in activity. The resulting cross-validated R2 of 0.64 (conventional R2 of 0.76) is indicative of a good predictive model of activity, and has been used to estimate potency for a variety of non-peptidyl antagonists. The structural model for the non-peptide has been compared with respect to the natural substrate, A-II, by generating peptide to non-peptide overlays.

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Year:  1994        PMID： 7876897     DOI： 10.1007/bf00123662

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


  37 in total

1.  Interaction of substance P with the second and seventh transmembrane domains of the neurokinin-1 receptor.

Authors:  R R Huang; H Yu; C D Strader; T M Fong
Journal:  Biochemistry       Date:  1994-03-15       Impact factor: 3.162

2.  A new, long-lasting competitive inhibitor of angiotensin.

Authors:  R K Türker; M M Hall; M Yamamoto; C S Sweet; F M Bumpus
Journal:  Science       Date:  1972-09-29       Impact factor: 47.728

3.  Different binding epitopes on the NK1 receptor for substance P and non-peptide antagonist.

Authors:  U Gether; T E Johansen; R M Snider; J A Lowe; S Nakanishi; T W Schwartz
Journal:  Nature       Date:  1993-03-25       Impact factor: 49.962

4.  Nonpeptide angiotensin II antagonists derived from 4H-1,2,4-triazoles and 3H-imidazo[1,2-b][1,2,4]triazoles.

Authors:  W T Ashton; C L Cantone; L L Chang; S M Hutchins; R A Strelitz; M MacCoss; R S Chang; V J Lotti; K A Faust; T B Chen
Journal:  J Med Chem       Date:  1993-03-05       Impact factor: 7.446

5.  Molecular shape comparison of angiotensin II receptor antagonists.

Authors:  B B Masek; A Merchant; J B Matthew
Journal:  J Med Chem       Date:  1993-04-30       Impact factor: 7.446

6.  New nonpeptide angiotensin II receptor antagonists. 1. Synthesis, biological properties, and structure-activity relationships of 2-alkyl benzimidazole derivatives.

Authors:  A P Thomas; C P Allott; K H Gibson; J S Major; B B Masek; A A Oldham; A H Ratcliffe; D A Roberts; S T Russell; D A Thomason
Journal:  J Med Chem       Date:  1992-03-06       Impact factor: 7.446

7.  Triazolinones as nonpeptide angiotensin II antagonists. 1. Synthesis and evaluation of potent 2,4,5-trisubstituted triazolinones.

Authors:  L L Chang; W T Ashton; K L Flanagan; R A Strelitz; M MacCoss; W J Greenlee; R S Chang; V J Lotti; K A Faust; T B Chen
Journal:  J Med Chem       Date:  1993-08-20       Impact factor: 7.446

8.  A unique geometry of the active site of angiotensin-converting enzyme consistent with structure-activity studies.

Authors:  D Mayer; C B Naylor; I Motoc; G R Marshall
Journal:  J Comput Aided Mol Des       Date:  1987-04       Impact factor: 3.686

9.  An investigation of angiotensin II agonist and antagonist analogues with 5,5-dimethylthiazolidine-4-carboxylic acid and other constrained amino acids.

Authors:  J Samanen; T Cash; D Narindray; E Brandeis; W Adams; H Weideman; T Yellin; D Regoli
Journal:  J Med Chem       Date:  1991-10       Impact factor: 7.446

10.  Conformational restriction of angiotensin II: cyclic analogues having high potency.

Authors:  K L Spear; M S Brown; E J Reinhard; E G McMahon; G M Olins; M A Palomo; D R Patton
Journal:  J Med Chem       Date:  1990-07       Impact factor: 7.446
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  2 in total

1.  A 3D QSAR CoMFA study of non-peptide angiotensin II receptor antagonists.

Authors:  L Belvisi; G Bravi; G Catalano; M Mabilia; A Salimbeni; C Scolastico
Journal:  J Comput Aided Mol Des       Date:  1996-12       Impact factor: 3.686

2.  An automated method for predicting the positions of hydrogen-bonding atoms in binding sites.

Authors:  J E Mills; T D Perkins; P M Dean
Journal:  J Comput Aided Mol Des       Date:  1997-05       Impact factor: 3.686
  2 in total

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