This Readership is 10 times more when compared to other Subscription Journals (Source: Google Analytics)
All submissions of the EM system will be redirected to Online Manuscript Submission System. Authors are requested to submit articles directly to Online Manuscript Submission System of respective journal.
irtual ligand screening can help to prioritize compounds for experimental
screening and identifi
cation of hit compounds modulating the function(s) of
a macromolecular target (e.g., a protein involved in the pathogenesis of a disease).
As such, the concept of screening of high quality compound collections in terms
of improved ADMET (absorption, distribution, metabolism, excretion, toxicity)
properties and containing a reduced number of ?nuisance compounds? is gaining
momentum. Clearly, library design with soft
and appropriate ADMET fi
removal of undesirable molecules/groups and with parameters tailored to a given
project and/or to the stage of the project is nowadays considered critical to both,
drug discovery and chemical biology endeavors. Th
ese observations motivated us to
develop an online tool, the FAF-Drugs2 server, dedicated to the preparate compound
collections prior to virtual ligand screening and assists hit selection / lead optimization
before chemical synthesis or ordering. To our knowledge, such a free service able to
handle several thousands of compounds with either predefi
or user-tuned parameters, and assisting decision-making is not available at present.
e FAF-Drugs2 server is based on a signifi
cantly improved version of a previously
published standalone pack and has been designed through a user-centered approach
with emphasis on user-friendliness. Our online toolkit allowing to prepare large
compound libraries and now includes among others, the detection of PAINS (Pan
Assay Interference Compounds) and various oral bioavailability evaluations. Th
FAF-Drugs2 server will soon available in the next few weeks.
David Lagorce is working as an INSERM Engineer and he is a Ph.D student at the MTi
laboratory ? Paris Diderot University - PARIS - FRANCE. He is working on new tools for ADMET
prediction and chemical libraries preparation
Peer Reviewed Journals
Make the best use of Scientific Research and information from our 700 + peer reviewed, Open Access Journals