ArticleMolecular diversity2011
Comparative docking and CoMFA analysis of curcumine derivatives as HIV-1 integrase inhibitors.
Article in Molecular diversity, 2011. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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Who cites it
4 citing papers in PubMed, 26 citations in OpenAlex.
- Curcumin as a Potential Treatment for COVID-19.Frontiers in pharmacology · 2021Review
- Insights into the Structural Requirements of Potent Brassinosteroids as Vegetable Growth Promoters Using Second-Internode Elongation as Biological Activity: CoMFA and CoMSIA Studies.International journal of molecular sciences · 2017Article
- Molecular features related to HIV integrase inhibition obtained from structure- and ligand-based approaches.PloS one · 2014Article
- 3D-QSAR and molecular docking analysis of biphenyl amide derivatives as p38α mitogen-activated protein kinase inhibitors.Molecular diversity · 2012Article
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Authors and funding
3 authors at 2 institutions in 1 country.
Funding
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Abstract
The docking studies and comparative molecular field analysis (CoMFA) were performed on highly active molecules of curcumine derivatives against 3' processing activity of HIV-1 integrase (IN) enzyme. The optimum CoMFA model was selected with statistically significant cross-validated r(2) value of 0.815 and non-cross validated r (2) value of 0.99. The common pharmacophore of highly active molecules was used for screening of HIV-1 IN inhibitors. The high contribution of polar interactions in pharmacophore mapping is well supported by docking and CoMFA results. The results of docking, CoMFA, and pharmacophore mapping give structural insights as well as important binding features of curcumine derivatives as HIV-1 IN inhibitors which can provide guidance for the rational design of novel HIV-1 IN inhibitors.
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