EGCG ((2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate) was first optimized as a ligand at B3LYP/6-311++G** level of calculation using jaguar2014.3 and then prepared using the LigPrep module for docking in the Glide module of Schrodinger suite 2014.3. Further details regarding the in silico modeling and docking studies is provided in Supplementary data .
Protocol detail
Optimizing EGCG Ligand for Molecular Docking
Partial Protocol Preview
This section provides a glimpse into the protocol.
The remaining content is hidden due to licensing restrictions, but the full text is available at the following link:
Access Free Full Text.
Benzopyran
Egcg
Ligand
Corresponding Organization :
Other organizations : Washington State University Spokane, University of Toledo, National Institute of Pharmaceutical Education and Research
Top 5 similar protocols
Protocol cited in 2 other protocols
Variable analysis
independent variables
- EGCG ((2
R ,3R )-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H -1-benzopyran-3-yl 3,4,5-trihydroxybenzoate)
- Not explicitly mentioned
- Not explicitly mentioned
- No positive or negative controls were explicitly mentioned in the provided information.
Annotations
Based on most similar protocols
Etiam vel ipsum. Morbi facilisis vestibulum nisl. Praesent cursus laoreet felis. Integer adipiscing pretium orci. Nulla facilisi. Quisque posuere bibendum purus. Nulla quam mauris, cursus eget, convallis ac, molestie non, enim. Aliquam congue. Quisque sagittis nonummy sapien. Proin molestie sem vitae urna. Maecenas lorem.
Sign up for free or login to display all annotations
As authors may omit details in methods from publication, our AI will look for missing critical information across the 5 most similar protocols.
About PubCompare
Our mission is to provide scientists with the largest repository of trustworthy protocols and intelligent analytical tools, thereby offering them extensive information to design robust protocols aimed at minimizing the risk of failures.
We believe that the most crucial aspect is to grant scientists access to a wide range of reliable sources and new useful tools that surpass human capabilities.
However, we trust in allowing scientists to determine how to construct their own protocols based on this information, as they are the experts in their field.
Ready to get started?
Sign up for free.
Registration takes 20 seconds.
Available from any computer
No download required
Revolutionizing how scientists
search and build protocols!