Pharmacophore mapping of a series of 2,4-diamino-5-deazapteridine inhibitors of Mycobacterium avium complex dihydrofolate reductase

Journal of Medicinal Chemistry

Volumn 45, Issue 1, 2002, Pages 41-53

  Debnath, A K ^a  

^a NEW YORK BLOOD CENTER   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

2,4 DIAMINO 5 DEAZAPTERIDINE DERIVATIVE; DIHYDROFOLATE REDUCTASE; DIHYDROFOLATE REDUCTASE INHIBITOR; UNCLASSIFIED DRUG;

ARTICLE; DRUG DESIGN; DRUG SCREENING; DRUG SELECTIVITY; ENZYME INHIBITION; HUMAN; HYPOTHESIS; MYCOBACTERIUM AVIUM; NONHUMAN; PHARMACOPHORE;

FOLIC ACID ANTAGONISTS; HUMANS; MODELS, MOLECULAR; MYCOBACTERIUM AVIUM COMPLEX; PTERIDINES; TETRAHYDROFOLATE DEHYDROGENASE;

EID: 0037011895     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm010360c     Document Type: Article

References (57)

1. Tuberculosis and HIV infection: A review
2. Disseminated Mycobacterium avium complex disease in patients with AIDS
3. HIV infection, tuberculosis and non-tuberculous mycobacteria
4. Mycobacterium avium complex disease in HIV seropositive patients: Incidence and risk factors before and after the introduction of highly active antiretroviral treatments
5. Human immunodeficiency virus and Mycobacterium avium complex coinfection of monocytoid cells results in reciprocal enhancement of multiplication
6. Mechanism of Mycobacterium avium complex pathogenesis
7. Processing of mycobacterial lipids and effects on host responsiveness
8. Mycobacterium avium complex infection in the acquired immunodeficiency syndrome
9. Incidence of Mycobacterium avium-intracellulare complex bacteremia in human immunodeficiency virus-positive patients
10. Molecular modeling in the discovery of drug leads
11. Altered natural history of AIDS-related opportunistic infections in the era of potent combination antiretroviral therapy
12. Action of antituberculous and beta-lactam drugs (including imipenem) against extra- and intra-cellularly growing Mycobacterium avium-intracellulare
13. Three- and four-dimensional quantitative structure activity relationship analyses of cytochrome P-450 3A4 inhibitors
14. Accuracy of self-reports of acquired immunodeficiency syndrome and acquired immunodeficiency syndrome-related conditions in women
15. Nocardiasis in patients with HIV infection
16. In vitro activities of PS-15, a new dihydrofolate reductase inhibitor, and its cyclic metabolite against Mycobacterium avium complex
17. Susceptibilities of Mycobacterium tuberculosis and Mycobacterium avium complex to lipophilic deazapteridine derivatives, inhibitors of dihydrofolate reductase
18. In vitro activities of several diaminomethylpyridopyrimidines against Mycobacterium avium complex
19. Antimycobacterial activities of 2,4-diamino-5deazapteridine derivatives and effects on mycobacterial dihydrofolate reductase
20. Synthesis and biological activities of tricyclic conformationally restricted tetrahydropyrido annulated furo[2,3-d]pyrimidines as inhibitors of dihydrofolate reductases
21. Structure-based design of selective inhibitors of dihydrofolate reductase: Synthesis and antiparasitic activity of 2,4-diaminopteridine analogues with a bridged diarylamine side chain
22. Pharmacophore mapping
23. Active-site-directed 3D database searching: Pharmacophore extraction and validation of hits
24. Three-dimensional pharmacophores from binding data
25. 3-D pharmacophores in drug discovery
26. Pharmacophores in drug design and discovery
27. A comparison of methods for pharmacophore generation with the Catalyst software and their use for 3D-QSAR: Application to a set of 4-aminopyridine thrombin inhibitors
28. Derivation of pharmacophore and CoMFA models for leukotriene D(4) receptor antagonists of the quinolinyl(bridged)aryl series
29. Use of Catalyst in the design of novel non-steroidal anti-inflammatory analgesic drugs
30. Building a hypothesis for CCK-B antagonists using Catalyst program
31. Identification of novel farnesyl protein transferase inhibitors using three-dimensional database searching methods
32. Automated chemical hypothesis generation and database searching with Catalyst
33. Structure-activity relationships and molecular modeling studies of a series of H1 antihistamines
34. 2-adrenoceptors
35. Substrate specificity of the ileal and the hepatic Na(+)/bile acid cotransporters of the rabbit. II. A reliable 3D QSAR pharmacophore model for the ileal Na(+)/bile acid cotransporter
36. Pharmacophore and three-dimensional quantitative structure activity relationship methods for modeling cytochrome p450 active sites
37. Three-dimensional pharmacophore hypotheses of octopamine receptor responsible for the inhibition of sex-pheromone production in Helicoverpa armigera
38. A feature based pharmacophore for Candida albicans MyristoylCoA: Protein N-myristoyltransferase inhibitors
39. Building a pharmacophore model for a novel class of antitubercular compounds
40. Three-dimensional quantitative structure activity relationship analyses of substrates for CYP2B6
41. Three- and four-dimensional quantitative structure activity relationship analyses of cytochrome P-450 3A4 inhibitors
42. Three and four dimensional-quantitative structure activity relationship (3D/4D-QSAR) analyses of CYP2D6 inhibitors
43. A QSAR study of the antimalarial activity of some synthetic 1,2,4-trioxanes
44. First pharmacopheric hypothesis for 5-HT7 antagonism
45. Definition of a pharmacophore for partial agonists of serotonin 5-HT3 receptors
46. Refinement of Catalyst hypotheses using simplex optimisation
47. Association of two 3D QSAR analyses. Application to the study of partial agonist serotonin-3 ligands
48. Pharmacophore modeling and three-dimensional database searching for drug design using Catalyst
49. Strategies for database mining and pharmacophore development
50. Chemical function based pharmacophore models as suitable filters for 3D-database searching
51. Discovery of novel mesangial cell proliferation inhibitors using a three-dimensional database searching method
52. Applicability of Catalyst in ecotoxicology, a new promising tool for 3D-QSAR: Study of chlorophenols
53. CHARMM: A program for macromolecular energy minimization, and dynamic calculations