Molecular modeling of soluble proteins
Molecular modeling of soluble proteins
批准号:
8349654
负责人:
Stefano Costanzi
金额:
$8.02万
依托单位国家:
美国
项目类别:
财政年份:
--
资助国家:
美国
项目状态:
未结题
起止时间:
至
关键词:
3-DimensionalAntineoplastic AgentsAntiviral AgentsBioinformaticsBiologicalCollaborationsComputer AssistedComputing MethodologiesCytarabineCytidineCytidine DeaminaseCytidine Deaminase InhibitorDatabasesDeaminationDevelopmentDisciplineDockingEnzymesEvaluationG-Protein-Coupled ReceptorsHomology ModelingHumanItalyLeadLigandsMolecularMolecular ModelsMolecular WeightNucleotidesPharmaceutical PreparationsPharmacologic SubstancePhylogenetic AnalysisProteinsPublishingQuantitative Structure-Activity RelationshipResearchResourcesScreening procedureStructure-Activity RelationshipSystemTechniquesTestingTimeUniversitiesUridineWorkbasecheminformaticsdrug discoveryextracellularimprovedinterestleukemiamolecular dynamicsmolecular modelingnovelvirtual
中文摘要
在本财政年度中,我们研究了以下段落中描述的可溶性体系,这些体系构成了药物制剂开发的有吸引力的目标。
英文摘要
In the course of this fiscal year, we have worked on the soluble systems described in the following paragraphs, which constitute attractive targets for the development of pharmaceutical agents.
Human cytidine deaminase (CDA). Cytidine deaminase (CDA) is a cytosolic enzyme which catalyzes the hydrolytic deamination of cytidine to uridine. CDA causes also the degradation of several cytidine based compounds potentially active as anticancer or antiviral agents, including the anti-leukemic agent cytosine arabinoside (AraC).
In particular, during this fiscal year, we have conducted the research and accomplished the results described in the following paragraphs.
1) Finalized and published a virtual screening for the identification of CDA inhibitors. This work led to the identification of several active compounds, potentially developable into new pharmacological agents for the treatment of leukemia. Moreover, it significantly advanced the current understanding of the molecular mechanisms of nucleotide recognition by CDA. Experimental collaborators: Prof. Alberto Vita and Prof. Silvia Vincenzetti (University of Camerino, Italy).
2) Continued the studies for the identification of novel drug-like CDA inhibitors. Experimental collaborators: Prof. Alberto Vita and Prof. Silvia Vincenzetti (University of Camerino, Italy).
期刊论文(3)
专著(0)
科研奖励(0)
会议论文
DOI:
10.1016/j.jmgm.2010.03.010
发表时间:
2010-06
期刊:
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
影响因子:
2.9
作者:
[Vilar, Santiago, Chakrabarti, Mayukh, Costanzi, Stefano]
通讯作者:
Costanzi, Stefano
DOI:
10.1016/j.ijbiomac.2010.07.001
发表时间:
2010-11-01
期刊:
International journal of biological macromolecules
影响因子:
8.2
作者:
[Micozzi D, Pucciarelli S, Carpi FM, Costanzi S, De Sanctis G, Polzonetti V, Natalini P, Santarelli IF, Vita A, Vincenzetti S]
通讯作者:
Vincenzetti S
DOI:
10.1002/cmdc.201100139
发表时间:
2011-08-01
期刊:
CHEMMEDCHEM
影响因子:
3.4
作者:
[Costanzi, Stefano, Vilar, Santiago, Micozzi, Daniela, Carpi, Francesco M., Ferino, Giulio, Vita, Alberto, Vincenzetti, Silvia]
通讯作者:
Vincenzetti, Silvia
Virtual screening for the identification of ligands of GPR101, an orphan GPCR involved in X-linked acrogigantism (X-LAG)
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批准号:10199155
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项目类别:
-
资助金额:$42.9万
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财政年份:2021
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负责人:Stefano Costanzi
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依托单位:
Molecular modeling of soluble proteins
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批准号:7967154
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项目类别:
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资助金额:$7.52万
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财政年份:--
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负责人:Stefano Costanzi
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依托单位:
Molecular modeling of G protein-coupled receptors
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批准号:7967134
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项目类别:
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资助金额:$67.65万
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财政年份:--
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负责人:Stefano Costanzi
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依托单位:
Molecular modeling of G protein-coupled receptors
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批准号:8148663
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项目类别:
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资助金额:$31.16万
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财政年份:--
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负责人:Stefano Costanzi
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依托单位:
Molecular modeling of G protein-coupled receptors
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批准号:8349643
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项目类别:
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资助金额:$16.04万
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财政年份:--
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负责人:Stefano Costanzi
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依托单位:
Molecular modeling of G protein-coupled receptors
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批准号:7593399
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项目类别:
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资助金额:$44.45万
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财政年份:--
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负责人:Stefano Costanzi
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依托单位:
Molecular modeling of soluble proteins
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批准号:8148674
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项目类别:
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资助金额:$13.35万
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财政年份:--
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负责人:Stefano Costanzi
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依托单位:
Molecular modeling of soluble proteins
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批准号:7733957
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项目类别:
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资助金额:$3.3万
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财政年份:--
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负责人:Stefano Costanzi
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依托单位:
海外基金