Abstract
The focus of molecular docking is to computationally simulate the molecular recognition process. A binding interaction between a small molecule ligand and protein may result in activation or inhibition of the protein. The docking method using BRCA1 or BRCA2 genes and COX proteins is carefully texted in this chapter to check docking of the best inhibitor molecule.
MeSH terms
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Antineoplastic Agents, Phytogenic / chemistry
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Antineoplastic Agents, Phytogenic / metabolism
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Antineoplastic Agents, Phytogenic / pharmacology*
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BRCA1 Protein / antagonists & inhibitors*
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BRCA1 Protein / chemistry
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BRCA1 Protein / metabolism
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BRCA2 Protein / antagonists & inhibitors*
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BRCA2 Protein / chemistry
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BRCA2 Protein / metabolism
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Binding Sites
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Bioprospecting / methods*
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Cyclooxygenase 1 / chemistry
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Cyclooxygenase 1 / metabolism
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Cyclooxygenase 2 / chemistry
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Cyclooxygenase 2 / metabolism
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Cyclooxygenase 2 Inhibitors / pharmacology
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Cyclooxygenase Inhibitors / chemistry
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Cyclooxygenase Inhibitors / metabolism
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Cyclooxygenase Inhibitors / pharmacology*
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Databases, Protein
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Drug Discovery / methods*
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Humans
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Molecular Docking Simulation*
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Molecular Targeted Therapy
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Neoplasms / drug therapy*
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Neoplasms / enzymology
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Phytochemicals / chemistry
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Phytochemicals / metabolism
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Phytochemicals / pharmacology*
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Phytotherapy
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Plant Extracts / chemistry
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Plant Extracts / metabolism
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Plant Extracts / pharmacology*
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Plants, Medicinal
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Protein Binding
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Protein Conformation
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Structure-Activity Relationship
Substances
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Antineoplastic Agents, Phytogenic
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BRCA1 Protein
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BRCA1 protein, human
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BRCA2 Protein
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BRCA2 protein, human
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Cyclooxygenase 2 Inhibitors
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Cyclooxygenase Inhibitors
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Phytochemicals
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Plant Extracts
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Cyclooxygenase 1
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Cyclooxygenase 2
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PTGS1 protein, human
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PTGS2 protein, human