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Analysis of the structural characteristics of berberine and its analogs. The energy-minimized structures of berberine and its analogs were generated with MM2 on ChemBio3D (PerkinElmer Life Sciences). The electrostatic potential surfaces for berberine and its analogs were generated with DelPhi on Accelrys Discovery <t>Studio</t> <t>2016</t> (Dassault Systèmes). Red and cyan represent the electronegative and electropositive potentials, respectively, and green represents a potential halfway point between the two extremes. The pKa of tetrahydroberberine was predicted by Marvin Beans (ChemAxon).
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Analysis of the structural characteristics of berberine and its analogs. The energy-minimized structures of berberine and its analogs were generated with MM2 on ChemBio3D (PerkinElmer Life Sciences). The electrostatic potential surfaces for berberine and its analogs were generated with DelPhi on Accelrys Discovery <t>Studio</t> <t>2016</t> (Dassault Systèmes). Red and cyan represent the electronegative and electropositive potentials, respectively, and green represents a potential halfway point between the two extremes. The pKa of tetrahydroberberine was predicted by Marvin Beans (ChemAxon).
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Analysis of the structural characteristics of berberine and its analogs. The energy-minimized structures of berberine and its analogs were generated with MM2 on ChemBio3D (PerkinElmer Life Sciences). The electrostatic potential surfaces for berberine and its analogs were generated with DelPhi on Accelrys Discovery <t>Studio</t> <t>2016</t> (Dassault Systèmes). Red and cyan represent the electronegative and electropositive potentials, respectively, and green represents a potential halfway point between the two extremes. The pKa of tetrahydroberberine was predicted by Marvin Beans (ChemAxon).
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Accelrys libdock protocol of discovery studio 2016
Analysis of the structural characteristics of berberine and its analogs. The energy-minimized structures of berberine and its analogs were generated with MM2 on ChemBio3D (PerkinElmer Life Sciences). The electrostatic potential surfaces for berberine and its analogs were generated with DelPhi on Accelrys Discovery <t>Studio</t> <t>2016</t> (Dassault Systèmes). Red and cyan represent the electronegative and electropositive potentials, respectively, and green represents a potential halfway point between the two extremes. The pKa of tetrahydroberberine was predicted by Marvin Beans (ChemAxon).
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Analysis of the structural characteristics of berberine and its analogs. The energy-minimized structures of berberine and its analogs were generated with MM2 on ChemBio3D (PerkinElmer Life Sciences). The electrostatic potential surfaces for berberine and its analogs were generated with DelPhi on Accelrys Discovery Studio 2016 (Dassault Systèmes). Red and cyan represent the electronegative and electropositive potentials, respectively, and green represents a potential halfway point between the two extremes. The pKa of tetrahydroberberine was predicted by Marvin Beans (ChemAxon).

Journal: The Journal of Biological Chemistry

Article Title: Glycoside hydrolase family 18 and 20 enzymes are novel targets of the traditional medicine berberine

doi: 10.1074/jbc.RA118.004351

Figure Lengend Snippet: Analysis of the structural characteristics of berberine and its analogs. The energy-minimized structures of berberine and its analogs were generated with MM2 on ChemBio3D (PerkinElmer Life Sciences). The electrostatic potential surfaces for berberine and its analogs were generated with DelPhi on Accelrys Discovery Studio 2016 (Dassault Systèmes). Red and cyan represent the electronegative and electropositive potentials, respectively, and green represents a potential halfway point between the two extremes. The pKa of tetrahydroberberine was predicted by Marvin Beans (ChemAxon).

Article Snippet: The electrostatic potential surfaces for berberine and its analogs were generated with DelPhi on Accelrys Discovery Studio 2016 (Dassault Systèmes).

Techniques: Generated