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Welcome to VAMMPIRE and VAMMPIRE-LORD: a matched molecular pairs database for structure-based drug design and lead optimization

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Home - VAMMPIRE | vammpire.pharmchem.uni-frankfurt.de Reviews

https://vammpire.pharmchem.uni-frankfurt.de

Welcome to VAMMPIRE and VAMMPIRE-LORD: a matched molecular pairs database for structure-based drug design and lead optimization

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1

Home - VAMMPIRE

http://vammpire.pharmchem.uni-frankfurt.de/vammpire

VAMMPIRE-LORD: an open access web server for targeted lead optimization based on Matched Molecular Pairs. A Matched Molecular Pair (MMP) is defined as a pair of molecules that differ only "by a particular, well defined, structural transformation". The valuable information of an MMP along with the subsequent effect on pharmaceutical properties can be used to improve a lead compound regarding solubility, plasma protein binding and oral exposure. J Chem. Inf. Model. Can be supportive in the optimization pro...

2

Database - VAMMPIRE

http://vammpire.pharmchem.uni-frankfurt.de/vammpire/database

Search or browse VAMMPIRE Database by an arbitrary combination of properties. After submitting the request, all 3D MMPs matching the declared properties will be displayed. Can be searched by smiles (suggestions will be made while typing). A substituent always starts with "[*]" which represents the R-group that connects the substituent with re rest of the molecule. Can be searched by entering a PDB code. Or ChEMBL target id. Can be searched by PDB code. Or ChEMBL compound id or. Amino acids in Environment.

3

LORD - VAMMPIRE

http://vammpire.pharmchem.uni-frankfurt.de/vammpire/lord

Choose Protein File (.pdb). Choose Ligand File (.sdf).

4

FAQ - VAMMPIRE

http://vammpire.pharmchem.uni-frankfurt.de/vammpire/faq

How to search by substituents? How to interpret the results? How to search by a PDB code? How tp upload own files? How to interpret the results? What are the system requirements? Who is behind VAMMPIRE? I still have a question! Nvironment) database to link the information of an MMP with the relevant receptor environment and the corresponding effect on ligand affinity. The database contains 8,234 MMPs with affinity data measured for 196 different Targets. VAMMPIRE Database stores 8,234 Matched Molecular P...

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VAMMPIRE-LORD: an open access web server for targeted lead optimization based on Matched Molecular Pairs. A Matched Molecular Pair (MMP) is defined as a pair of molecules that differ only "by a particular, well defined, structural transformation". The valuable information of an MMP along with the subsequent effect on pharmaceutical properties can be used to improve a lead compound regarding solubility, plasma protein binding and oral exposure. J Chem. Inf. Model. Can be supportive in the optimization pro...

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