Journal: Handbook of Computational Chemistry

Article Title: Recent Developments in 3D QSAR and Molecular Docking Studies of Organic and Nanostructures

doi: 10.1007/978-3-319-27282-5_54

Figure Lengend Snippet: Common pharmacophore generated from the best PHASE hypothesis. Pharmacophore features are red sphere for hydrogen bond acceptors (A) with the arrows pointing in the direction of lone pair, blue sphere for positively charged group (P), and orange torus for aromatic rings (R). Compound 52 aligned to the pharmacophore for which blue indicates nitrogen, yellow refers to sulfur, green indicates chlorine, gray indicates carbon, and white refers to hydrogen (Reproduced with Permission from reference (Amnerkar and Bhusari ). Copyright Elsevier, 2010)

Article Snippet: The developed HYPOGEN pharmacophore model that was used for virtual screening of 160,000 compounds from the databases is represented in Fig. . Fig. 6 Catalyst HypoGen pharmacophore model, where H and HBA are illustrated in cyan and green , respectively (For interpretation of the references to color in this figure legend, the reader is referred to the web version of this article) (Reproduced with Permission from reference Sakkiah et al. ) Copyright Elsevier, 2010) Recently introduced and discussed previously the CMF approach for 3D QSAR analysis was successfully applied for several datasets (Baskin and Zhokhova ).

Techniques: Generated

Journal: Handbook of Computational Chemistry

Article Title: Recent Developments in 3D QSAR and Molecular Docking Studies of Organic and Nanostructures

doi: 10.1007/978-3-319-27282-5_54

Figure Lengend Snippet: Catalyst HypoGen pharmacophore model, where H and HBA are illustrated in cyan and green , respectively (For interpretation of the references to color in this figure legend, the reader is referred to the web version of this article) (Reproduced with Permission from reference Sakkiah et al. ) Copyright Elsevier, 2010)

Article Snippet: The developed HYPOGEN pharmacophore model that was used for virtual screening of 160,000 compounds from the databases is represented in Fig. . Fig. 6 Catalyst HypoGen pharmacophore model, where H and HBA are illustrated in cyan and green , respectively (For interpretation of the references to color in this figure legend, the reader is referred to the web version of this article) (Reproduced with Permission from reference Sakkiah et al. ) Copyright Elsevier, 2010) Recently introduced and discussed previously the CMF approach for 3D QSAR analysis was successfully applied for several datasets (Baskin and Zhokhova ).

Techniques: