Zobrazeno 1 - 10
of 24
pro vyhledávání: '"Barun Bhhatarai"'
Autor:
Snahel Patel, Barun Bhhatarai, Philamer Calses, Daniel Erlanson, Robert Everley, Susan Fong, Phil Gerken, Johannes C. Hermann, Tiep Le, Li-kai Liu, Evan McMahon, Richard M. Neve, Tony Phan, Allison Roberts, Mikayla Shanafelt, Sophie Siemsgluess, Jocelyn Staunton, Yan Wang, Weiru Wang, Monika Williams, Kevin R. Webster
Publikováno v:
Cancer Research. 83:1142-1142
KRAS is one of the most frequently mutated genes in cancer and was long considered undruggable until the recent discovery of inhibitors that bind the inactive (GDP-bound) form of KRASG12C. The most clinically advanced of these first-generation molecu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bddeb8c4c1faf2d4674fccb004f29341
https://doi.org/10.1158/1538-7445.am2023-1142
https://doi.org/10.1158/1538-7445.am2023-1142
Publikováno v:
Nat Mater
A recent conference organized a panel of scientists representing small and big pharma companies, who work at the interface of machine learning (ML) and absorption, distribution, metabolism, excretion, and toxicology (ADME/Tox). With the recent rebirt
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::afbdf98b8f75a333f744a03cc24efd8e
https://doi.org/10.1038/s41563-019-0332-5
https://doi.org/10.1038/s41563-019-0332-5
Autor:
Sue Marty, Fagen Zhang, Amy J. Clark, T Auernhammer, Michael J. Bartels, Tim Erskine, Daniel M. Wilson, Barun Bhhatarai
Publikováno v:
SAR and QSAR in Environmental Research. 29:875-893
The accurate prediction of toxicokinetic parameters arising from oral, dermal and inhalation routes of chemical exposure is a key element in chemical safety assessments. In this research, the physi...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b3e00a7610bd9c58435dfb667552ef1d
https://doi.org/10.1080/1062936x.2018.1518928
https://doi.org/10.1080/1062936x.2018.1518928
Autor:
S. Nassir Ghaemi, Guiqing Liang, Duncan Armstrong, Hong Jin, Bryan L. Roth, Joshua Pottel, Brian K. Shoichet, Xi Ping Huang, Alexander Fekete, Laszlo Urban, Kathleen M. Giacomini, Ellen L. Berg, John J. Irwin, Steven Whitebread, Ling Zou, Hayarpi Torosyan, Katalin V. Lukacs, Barun Bhhatarai, Samuel T. Slocum, Dallas Bednarczyk
Publikováno v:
Science (New York, N.Y.), vol 369, iss 6502
Science
Science
Excipients, considered “inactive ingredients,” are a major component of formulated drugs and play key roles in their pharmacokinetics. Despite their pervasiveness, whether they are active on any targets has not been systematically explored. We co
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d09b20fb65c9cd3b8fabfaad38953262
https://pubmed.ncbi.nlm.nih.gov/32728229
https://pubmed.ncbi.nlm.nih.gov/32728229
Autor:
Amanda K. Parks, Barun Bhhatarai, Sue Marty, Edward W. Carney, Daniel M. Wilson, Paul S. Price
Publikováno v:
Environmental Health Perspectives
Background: Integrative testing strategies (ITSs) for potential endocrine activity can use tiered in silico and in vitro models. Each component of an ITS should be thoroughly assessed. Objectives: We used the data from three in vitro ToxCast™ bindi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::26983d22abe6edee19b7ea5c2e9f31b6
https://doi.org/10.1289/ehp184
https://doi.org/10.1289/ehp184
Publikováno v:
Chemical Research in Toxicology. 29:810-822
Assessment of ocular irritation is an essential component of any risk assessment. A number of (Q)SARs and expert systems have been developed and are described in the literature. Here, we focus on three in silico models (TOPKAT, BfR rulebase implement
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4ccd4bc1654991b5cad5c7cb595c0c9d
https://doi.org/10.1021/acs.chemrestox.5b00531
https://doi.org/10.1021/acs.chemrestox.5b00531
Autor:
Scott A. Oakes, Markus A. Seeliger, Bradley J. Backes, Likun Wang, B. Gayani K. Perera, Stephan C. Schürer, Barun Bhhatarai, Feroz R. Papa, Dustin J. Maly, Sanjay B. Hari
Publikováno v:
Nature chemical biology
Under endoplasmic reticulum stress, unfolded protein accumulation leads to activation of the endoplasmic reticulum transmembrane kinase/endoRNase (RNase) IRE1α. IRE1α oligomerizes, autophosphorylates and initiates splicing of XBP1 mRNA, thus trigge
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3a212cf04b196d64ce40d5220ce11940
https://doi.org/10.1038/nchembio.1094
https://doi.org/10.1038/nchembio.1094
Autor:
Barun Bhhatarai, Stephan C. Schürer, Hugh Rosen, Edward Roberts, Emanuela Repetto, Euijung Jo, Yasushi Kohno, Sean Riley, Steven J. Brown, Miguel Guerrero
Publikováno v:
ACS Chemical Biology. 7:1975-1983
Sphingosine 1-phosphate (S1P) is a lysophospholipid signaling molecule that regulates important biological functions, including lymphocyte trafficking and vascular development, by activating G protein-coupled receptors for S1P, namely, S1P(1) through
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::944e93386161b8db33416993f725bcbe
https://doi.org/10.1021/cb300392z
https://doi.org/10.1021/cb300392z
Autor:
Paola Gramatica, Tomas Öberg, Nina Jeliazkova, Simona Kovarich, Igor V. Tetko, Wolfram Teetz, Nikolay Kochev, Ognyan Pukalov, Tao Liu, Ester Papa, Barun Bhhatarai
Publikováno v:
Molecular Informatics. 30:189-204
Quantitative structure property relationship (QSPR) studies on per- and polyfluorinated chemicals (PFCs) on melting point (MP) and boiling point (BP) are presented. The training and prediction chemicals used for developing and validating the models w
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::265a953f4499377ad68e7f2336015b07
https://doi.org/10.1002/minf.201000133
https://doi.org/10.1002/minf.201000133
Publikováno v:
Scopus-Elsevier
This paper reports the development of quantitative structure-activity relationship (QSAR) models for a set of 170 chemicals using mathematical descriptors which can be calculated directly from molecular structure without the input of any other experi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0f7256e8f5c6c99d6247513303772552
https://doi.org/10.2174/1573409911006040269
https://doi.org/10.2174/1573409911006040269