Literature DB >> 24981613

Physicochemical profiling: overview of the screens.

E H Kerns1, L Di2.   

Abstract

Physicochemical screens are increasingly used in drug discovery to provide an early understanding of key properties that affect ADME. They also insure that discovery experiments are planned and interpreted correctly. Key physicochemical properties discussed are: integrity, pKa, lipophilicity, solubility and permeability. Various groups might implement literature methods or develop their own. Commercial instruments are also available for these properties to allow groups to rapidly provide data for their organizations.:
© 2004 Elsevier Ltd . All rights reserved.

Year:  2004        PMID: 24981613     DOI: 10.1016/j.ddtec.2004.08.011

Source DB:  PubMed          Journal:  Drug Discov Today Technol        ISSN: 1740-6749


  9 in total

1.  Pyrazolylthiazole as DeltaF508-cystic fibrosis transmembrane conductance regulator correctors with improved hydrophilicity compared to bithiazoles.

Authors:  Long Ye; John M Knapp; Panjamaporn Sangwung; James C Fettinger; A S Verkman; Mark J Kurth
Journal:  J Med Chem       Date:  2010-05-13       Impact factor: 7.446

2.  High-throughput self-interaction chromatography: applications in protein formulation prediction.

Authors:  David H Johnson; Arun Parupudi; W William Wilson; Lawrence J DeLucas
Journal:  Pharm Res       Date:  2008-10-16       Impact factor: 4.200

3.  Correlation between molecular acidity (pKa) and vibrational spectroscopy.

Authors:  Niraj Verma; Yunwen Tao; Bruna Luana Marcial; Elfi Kraka
Journal:  J Mol Model       Date:  2019-01-30       Impact factor: 1.810

4.  Selective small-chemical inhibitors of protein arginine methyltransferase 5 with anti-lung cancer activity.

Authors:  Gui-Mei Kong; Min Yu; Zhongping Gu; Zhi Chen; Rui-Ming Xu; Deon O'Bryant; Zhengxin Wang
Journal:  PLoS One       Date:  2017-08-14       Impact factor: 3.240

5.  Open-source QSAR models for pKa prediction using multiple machine learning approaches.

Authors:  Kamel Mansouri; Neal F Cariello; Alexandru Korotcov; Valery Tkachenko; Chris M Grulke; Catherine S Sprankle; David Allen; Warren M Casey; Nicole C Kleinstreuer; Antony J Williams
Journal:  J Cheminform       Date:  2019-09-18       Impact factor: 5.514

6.  In vitro and in vivo pharmacokinetic characterization of LMT-28 as a novel small molecular interleukin-6 inhibitor.

Authors:  Sung-Hoon Ahn; Tae-Hwe Heo; Hyun-Sik Jun; Yongseok Choi
Journal:  Asian-Australas J Anim Sci       Date:  2019-08-03       Impact factor: 2.509

7.  Synthesis, in vitro enzyme activity and molecular docking studies of new benzylamine-sulfonamide derivatives as selective MAO-B inhibitors.

Authors:  Begüm Nurpelin Sağlık; Derya Osmaniye; Ulviye Acar Çevik; Serkan Levent; Betül Kaya Çavuşoğlu; Özlem Atlı Eklioğlu; Yusuf Özkay; Ali Savaş Koparal; Zafer Asım Kaplancıklı
Journal:  J Enzyme Inhib Med Chem       Date:  2020-12       Impact factor: 5.051

8.  The pK(a) Distribution of Drugs: Application to Drug Discovery.

Authors:  David T Manallack
Journal:  Perspect Medicin Chem       Date:  2007-09-17

9.  Design, Synthesis, and Structure-Activity Relationships of Thiazole Analogs as Anticholinesterase Agents for Alzheimer's Disease.

Authors:  Begüm Nurpelin Sağlık; Derya Osmaniye; Ulviye Acar Çevik; Serkan Levent; Betül Kaya Çavuşoğlu; Yusuf Özkay; Zafer Asım Kaplancıklı
Journal:  Molecules       Date:  2020-09-20       Impact factor: 4.411

  9 in total

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