Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
5
pubmed:dateCreated
2008-3-17
pubmed:abstractText
Novel pyrrolo[2,3-d]pyrimidine derivatives 4a-e, 10, 14, 15, pyrazolopyrrolopyrimidine 13, pyrrolotriazolopyrimidine 5-9, 17 and pyrrolopyrimidotriazine 18 are reported herein. The design of these compounds was based upon the molecular modeling simulation of the fitting values and conformational energy values of the best-fitted conformers to VEGFRTK inhibitor hypothesis. This hypothesis was generated from its corresponding lead compounds using CATALYST software. The structures of these compounds were confirmed by microanalyses, IR, (1)H NMR, and mass spectral data. Compounds 6 and 15 showed interesting in vitro antitumor activity compared to doxorubicin as positive control. These results are nearly consistent with the molecular modeling studies. Docking studies were made on compound 15 to predict its binding mode. Moreover, compound 10 exhibited a significant radioprotective activity.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Mar
pubmed:issn
1464-3391
pubmed:author
pubmed:issnType
Electronic
pubmed:day
1
pubmed:volume
16
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
2391-402
pubmed:dateRevised
2009-11-19
pubmed:meshHeading
pubmed-meshheading:18086527-Animals, pubmed-meshheading:18086527-Antineoplastic Agents, pubmed-meshheading:18086527-Antioxidants, pubmed-meshheading:18086527-Azo Compounds, pubmed-meshheading:18086527-Cell Line, Tumor, pubmed-meshheading:18086527-Cell Survival, pubmed-meshheading:18086527-Female, pubmed-meshheading:18086527-Glutathione, pubmed-meshheading:18086527-Lipid Peroxidation, pubmed-meshheading:18086527-Mice, pubmed-meshheading:18086527-Models, Molecular, pubmed-meshheading:18086527-Molecular Structure, pubmed-meshheading:18086527-Protein Kinase Inhibitors, pubmed-meshheading:18086527-Pyrimidines, pubmed-meshheading:18086527-Pyrroles, pubmed-meshheading:18086527-Radiation-Protective Agents, pubmed-meshheading:18086527-Receptors, Vascular Endothelial Growth Factor, pubmed-meshheading:18086527-Software, pubmed-meshheading:18086527-Structure-Activity Relationship
pubmed:year
2008
pubmed:articleTitle
Molecular modeling study and synthesis of novel pyrrolo[2,3-d]pyrimidines and pyrrolotriazolopyrimidines of expected antitumor and radioprotective activities.
pubmed:affiliation
Pharmaceutical Chemistry Department, Faculty of Pharmacy, Ain Shams University, Elkhalifa Elmaamoon St., 11566, Abbasseya, Cairo 11371, Egypt.
pubmed:publicationType
Journal Article