Discovery of novel low molecular weight inhibitors of IMPDH via virtual needle screening

scientific article published on May 19, 2003

Discovery of novel low molecular weight inhibitors of IMPDH via virtual needle screening is …
instance of (P31):
scholarly articleQ13442814

External links are
P356DOI10.1016/S0960-894X(03)00237-3
P953full work available at URLhttps://api.elsevier.com/content/article/PII:S0960894X03002373?httpAccept=text/plain
https://api.elsevier.com/content/article/PII:S0960894X03002373?httpAccept=text/xml
P698PubMed publication ID12729643

P50authorNivedita BorkakotiQ84337992
James M BennettQ103837496
P2093author name stringIan Kilford
Trevor Wilkinson
David Hurst
Philip S. Jones
Stephen D. Pickett
Michael Broadhurst
Murray McKinnell
Bradley S. Sherborne
P2860cites workInterferon alfa-2b alone or in combination with ribavirin as initial treatment for chronic hepatitis C. Hepatitis Interventional Therapy GroupQ27861083
Interferon alfa-2b alone or in combination with ribavirin for the treatment of relapse of chronic hepatitis C. International Hepatitis Interventional Therapy GroupQ29620719
Detailed analysis of scoring functions for virtual screeningQ30985789
Molecular complexity and its impact on the probability of finding leads for drug discoveryQ30993107
Is there a difference between leads and drugs? A historical perspectiveQ31017131
The structure of inosine 5'-monophosphate dehydrogenase and the design of novel inhibitorsQ31401240
Novel inhibitors of DNA gyrase: 3D structure based biased needle screening, hit validation by biophysical methods, and 3D guided optimization. A promising alternative to random screeningQ31406783
Combinatorial target-guided ligand assembly: identification of potent subtype-selective c-Src inhibitorsQ31572098
The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structureQ34326042
Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: conformationally flexible docking by evolutionary programmingQ34447822
Antiviral agents: characteristic activity spectrum depending on the molecular target with which they interact.Q40874319
A randomized active-controlled trial of mycophenolate mofetil in heart transplant recipients. Mycophenolate Mofetil Investigators.Q46186465
Docking of hydrophobic ligands with interaction-based matching algorithms.Q51646570
Multiple automatic base selection: protein-ligand docking based on incremental construction without manual intervention.Q52260133
A fast flexible docking method using an incremental construction algorithm.Q52298930
MAB, a generally applicable molecular force field for structure modelling in medicinal chemistry.Q52340891
A BLINDED, RANDOMIZED CLINICAL TRIAL OF MYCOPHENOLATE MOFETIL FOR THE PREVENTION OF ACUTE REJECTION IN CADAVERIC RENAL TRANSPLANTATION1Q57704207
Discovering high-affinity ligands for proteinsQ73904870
P433issue10
P407language of work or nameEnglishQ1860
P921main subjectbiochemistryQ7094
organic chemistryQ11351
molecular medicineQ3523816
pharmaceutical scienceQ7180763
P1104number of pages4
P304page(s)1691-1694
P577publication date2003-05-01
2003-05-19
P1433published inBioorganic & Medicinal Chemistry LettersQ2709483
P1476titleDiscovery of novel low molecular weight inhibitors of IMPDH via virtual needle screening
P478volume13

Reverse relations

cites work (P2860)
Q33225368Design of ligand binding to an engineered protein cavity using virtual screening and thermal up-shift evaluation.
Q27660547Fragment-based lead discovery: screening and optimizing fragments for thermolysin inhibition
Q30366496Virtual screening: an in silico tool for interlacing the chemical universe with the proteome.

Search more.