OSIRIS Property Explorer

I recently came across a website that may be of interest,

The OSIRIS Property Explorer shown in this page is an integral part of Actelion's (1) inhouse substance registration system. It lets you draw chemical structures and calculates on-the-fly various drug-relevant properties whenever a structure is valid. Prediction results are valued and color coded. Properties with high risks of undesired effects like mutagenicity or a poor intestinal absorption are shown in red. Whereas a green color indicates drug-conform behaviour.

Piperazine bioisosteres

At the 16th SCI/RSC Medicinal Chemistry Symposium held in Churchill College, Cambridge there we a couple of examples of bioisosteric replacements for piperazine. Since piperazines turn up regularly in sample collections I thought it might be useful to add them to the page of basic bioisosteres.

The Great Stagnation

Those who heard Derek Lowe’s presentation at the Cambridge MedChem Meeting might be interested in reading the book by Tyler Cowen’s The Great Stagnation excerpts of which he used to illustrate his talk.

Fragment Based Screening

I’ve updated the sections on fragment based screening.

Chemical Databases

Updated the Chemical Databases page, added MMsINCdatabase a free web-oriented database of commercially-available compounds for virtual screening and chemoinformatic applications. MMsINC contains over 4 million non-redundant chemical compounds in 3D formats.