3D QSAR Pharmacophore Modeling, in Silico Screening, and Density Functional Theory (DFT) Approaches for Identification of Human Chymase Inhibitors

@inproceedings{Arooj20113DQP,
  title={3D QSAR Pharmacophore Modeling, in Silico Screening, and Density Functional Theory (DFT) Approaches for Identification of Human Chymase Inhibitors},
  author={Mahreen Arooj and Sundarapandian Thangapandian and Shalini John and Swan Hwang and Jong Hyun Park and Keun Woo Lee},
  booktitle={International journal of molecular sciences},
  year={2011}
}
Human chymase is a very important target for the treatment of cardiovascular diseases. Using a series of theoretical methods like pharmacophore modeling, database screening, molecular docking and Density Functional Theory (DFT) calculations, an investigation for identification of novel chymase inhibitors, and to specify the key factors crucial for the binding and interaction between chymase and inhibitors is performed. A highly correlating (r = 0.942) pharmacophore model (Hypo1) with two… CONTINUE READING

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