SYSTEM AND METHOD FOR EVALUATING ANTILEPROTIC ACTIVITIES BY DRUG REPURPOSING AND CHEMOTHERAPY WITH DRUG RESCUED MOLECULES
A system (100) and method (200) for evaluating antileprotic activities by drug repurposing and chemotherapy with drug rescued molecules, comprises of: a collecting unit (102) for taking crystal structure of a pharmaceutical antileprotic drug molecule; a molecular visualizer (104) to load the molecul...
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Sprache: | eng |
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Zusammenfassung: | A system (100) and method (200) for evaluating antileprotic activities by drug repurposing and chemotherapy with drug rescued molecules, comprises of: a collecting unit (102) for taking crystal structure of a pharmaceutical antileprotic drug molecule; a molecular visualizer (104) to load the molecule for analyzing energy associated with the crystal structure; and a controlling unit (106) for minimizing the energy to obtain stable local minima, wherein a binding activity of the crystal structure is analyzed by combination of chemotherapy with the drug molecule to dock the molecules. |
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