Pharmacophore modeling and 3D-QSAR studies of 15-hydroxyprostaglandin dehydrogenase (15-PGDH) inhibitors
IR@NISCAIR: CSIR-NISCAIR, New Delhi - ONLINE PERIODICALS REPOSITORY (NOPR)
View Archive Info| Field | Value | |
| Title |
Pharmacophore modeling and 3D-QSAR studies of 15-hydroxyprostaglandin dehydrogenase (15-PGDH) inhibitors
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| Creator |
Al-Najjar, Belal O
Shakya, Ashok K Saqallah, Fadi G Said, Rana |
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| Subject |
15-PGDH
Pharmacophore modeling Quantitative structure-activity relationship Docking |
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| Description |
1200-1206
15-Hydroxyprostaglandin dehydrogenase (15-PGDH) plays an important role in gastric ulcer healing, bone formation and dermal wound healing, encouraging several efforts to discover and optimize new inhibitors. We explored possible pharmacophoric space of 15-PGDH using four diverse sets of inhibitors. After that, GA and MLR methods have been employed to identify the optimal pharmacophore model(s) and physicochemical descriptors able to access Quantitative structure-activity relationship equation (r<sup>2</sup>=0.711, r<sup>2</sup><sub>(adj)=</sub>0.6927, r<sup>2</sup><sub>(LOO)</sub>= 0.6598). One pharmcophore model has emerged in the Quantitative structure-activity relationship equation and has been validated by ROC curve analysis and molecular docking. |
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| Date |
2017-11-13T08:57:49Z
2017-11-13T08:57:49Z 2017-11 |
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| Type |
Article
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| Identifier |
0975-0983(Online); 0376-4699(Print)
http://nopr.niscair.res.in/handle/123456789/43082 |
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| Language |
en_US
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| Rights |
<img src='http://nopr.niscair.res.in/image/cc-license-sml.png'> <a href='http://creativecommons.org/licenses/by-nc-nd/2.5/in' target='_blank'>CC Attribution-Noncommercial-No Derivative Works 2.5 India</a>
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| Publisher |
NISCAIR-CSIR, India
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| Source |
IJC-B Vol.56B(11) [November 2017]
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