Zobrazeno 1 - 10
of 45
pro vyhledávání: '"Gilles H. Goetz"'
Autor:
Stephen W. C. Walker, Ahdia Anwar, Jarrod M. Psutka, Jeff Crouse, Chang Liu, J. C. Yves Le Blanc, Justin Montgomery, Gilles H. Goetz, John S. Janiszewski, J. Larry Campbell, W. Scott Hopkins
Publikováno v:
Nature Communications, Vol 9, Iss 1, Pp 1-7 (2018)
The fast and accurate determination of molecular properties is particularly crucial in drug discovery. Here, the authors employ supervised machine learning to treat differential mobility spectrometry – mass spectrometry data for ten classes of drug
Externí odkaz:
https://doaj.org/article/e5545143641641f8afbe1987126bcf2f
Autor:
Gilles H. Goetz, Marina Shalaeva
Publikováno v:
ADMET and DMPK, Vol 6, Iss 2, Pp 85-104 (2018)
Applications of chromatography derived lipophilicity, polarity, and 3D concepts such as conformational states, exposed polarity and intramolecular hydrogen bonds (IMHB), are discussed along with recently developed methods for incorporating these conc
Externí odkaz:
https://doaj.org/article/ef69e60b50944dbaa548dfeb5f6c5e5f
Autor:
Giulia Caron, Jan Kihlberg, Giuseppe Ermondi, Vasanthanathan Poongavanam, Gilles H. Goetz, Ekaterina L. Ratkova
Publikováno v:
ACS Med Chem Lett
[Image: see text] An increasing number of drug discovery programs concern compounds in the beyond rule of 5 (bRo5) chemical space, such as cyclic peptides, macrocycles, and degraders. Recent results show that common paradigms of property-based drug d
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ccc15f1004824bd7142c8860505c6486
https://doi.org/10.1021/acsmedchemlett.0c00581
https://doi.org/10.1021/acsmedchemlett.0c00581
Autor:
W. Scott Hopkins, Jarrod Psutka, Justin I. Montgomery, Chang Liu, Ahdia Anwar, J. C. Yves Le Blanc, Jeff Crouse, John S. Janiszewski, Gilles H. Goetz, Stephen W. C. Walker, J. Larry Campbell
Publikováno v:
Nature Communications, Vol 9, Iss 1, Pp 1-7 (2018)
Nature Communications
Nature Communications
The fast and accurate determination of molecular properties is highly desirable for many facets of chemical research, particularly in drug discovery where pre-clinical assays play an important role in paring down large sets of drug candidates. Here,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::21df5a854d375c72eadbff2658a1c800
https://doaj.org/article/e5545143641641f8afbe1987126bcf2f
https://doaj.org/article/e5545143641641f8afbe1987126bcf2f
Aim: To set up a chromatographic strategy for the determination of log P for beyond Rule of 5 (bRo5) drugs. Materials & methods: Capacity factors measured by reverse phase-HPLC. Balance of intermolecular interactions governing systems assessed by par
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2f80d1c778e38ad1870ec3e4670a8542
http://hdl.handle.net/2318/1725129
http://hdl.handle.net/2318/1725129
Publikováno v:
2018 Medicinal Chemistry Reviews ISBN: 9780996293266
2018 Medicinal Chemistry Reviews
2018 Medicinal Chemistry Reviews
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::14ca366b5cdc2d1d79ca16893c4dde7b
https://doi.org/10.29200/acsmedchemrev-v53.ch21
https://doi.org/10.29200/acsmedchemrev-v53.ch21
Autor:
Bruce N. Rogers, Simone Sciabola, Kari R. Fonseca, Natasha M. Kablaoui, David Gray, Michelle Vanase-Frawley, Guoyun Bai, Gilles H. Goetz, Allen J. Duplantier
Publikováno v:
Bioorganic & Medicinal Chemistry. 24:3513-3520
Oxytocin (OT) is a peptide hormone agonist of the OT receptor (OTR) that plays an important role in social behaviors such as pair bonding, maternal bonding and trust. The pharmaceutical development of OT as an oral peptide therapeutic has been hinder
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::57f865f06d5830b8a9ab10ad8278bb10
https://doi.org/10.1016/j.bmc.2016.05.062
https://doi.org/10.1016/j.bmc.2016.05.062
Autor:
Lucia Grumetto, Laurence Philippe, Frederic Lynen, Francesco Barbato, Gilles H. Goetz, Giacomo Russo
Publikováno v:
International journal of pharmaceutics. 560
The present work proposes a novel application of EPSA (not an acronym but found to be referred to by many as Exposed Polar Surface Area), a supercritical fluid chromatography (SFC) polarity readout for assisting in the prediction of the extent of dru
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b521013f3cb6a4382ca01c5d4c79a043
https://pubmed.ncbi.nlm.nih.gov/30771469
https://pubmed.ncbi.nlm.nih.gov/30771469
Autor:
David Price, Melissa Thang, Heather Eng, Spiros Liras, Gilles H. Goetz, Joshua Schwochert, Chris Limberakis, R. Scott Lokey, Bhagyashree Khunte, Kelsie M. Rodriguez, Matthew P. Jacobson, Siegfried S. F. Leung, Alexandra R. Ponkey, Ray F. Berkeley, Michael J. Shapiro, Alan M. Mathiowetz, Rushia A. Turner, Amit S. Kalgutkar
Publikováno v:
Organic Letters. 17:2928-2931
The effect of peptide-to-peptoid substitutions on the passive membrane permeability of an N-methylated cyclic hexapeptide is examined. In general, substitutions maintained permeability but increased conformational heterogeneity. Diversification with
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::09501c9133be4bd312b838fed2f28c16
https://doi.org/10.1021/acs.orglett.5b01162
https://doi.org/10.1021/acs.orglett.5b01162
Autor:
Bhagyashree Khunte, Sangwoo Ryu, Jiangli Yan, Markus Boehm, Amit S. Kalgutkar, Kevin Beaumont, Janice A. Brown, Heather Eng, Laurie Tylaska, R. Scott Lokey, David Price, Elnaz Menhaji-Klotz, Chris Limberakis, Michael J. Shapiro, Guoyun Bai, Brian R. Holder, Liying Zhang, Sarah Lazzaro, Matthew P. Jacobson, Spiros Liras, David J. Earp, Alan M. Mathiowetz, Rhys M. Jones, Gilles H. Goetz, Siegfried S. F. Leung, Mahesh Ramaseshan, Rushia A. Turner, Karen Atkinson
Publikováno v:
Journal of medicinal chemistry. 60(23)
The chemokine receptor CXCR7 is an attractive target for a variety of diseases. While several small-molecule modulators of CXCR7 have been reported, peptidic macrocycles may provide advantages in terms of potency, selectivity, and reduced off-target
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::95cf66400422f5d38dcd7cc446c2d09c
https://pubmed.ncbi.nlm.nih.gov/29045152
https://pubmed.ncbi.nlm.nih.gov/29045152