Fragment-based drug discovery of small molecule ligands for the human chemokine CCL28

Authors: Angela L. Zhou, Davin R. Jensen, Francis C. Peterson, Monica A. Thomas, Roman R. Schlimgen, Michael B. Dwinell, Brian C. Smith, Brian F. Volkman

Source: SLAS Discovery, Vol 28, Iss 4, Pp 163-169 (2023)

Subject Terms: CCL28, NMR, Chemokine, Fragment, Drug discovery, Sulfotyrosine, Medicine (General), R5-920, Biotechnology, TP248.13-248.65

File Description: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2472555223000199; https://doaj.org/toc/2472-5552

Access URL: https://doaj.org/article/cda8960ad51a44dcad7771ca3279a769

Deep computational phenotyping of genomic variants impacting the SET domain of KMT2C reveal molecular mechanisms for their dysfunction

Authors: Salomão Dória Jorge, Young-In Chi, Jose Lizarraga Mazaba, Neshatul Haque, Jessica Wagenknecht, Brian C. Smith, Brian F. Volkman, Angela J. Mathison, Gwen Lomberk, Michael T. Zimmermann, Raul Urrutia

Source: Frontiers in Genetics, Vol 14 (2023)

Subject Terms: genomic variants, H3K4 methyltransferase, Kmt2C, paralog annotation, SET domain, Genetics, QH426-470

File Description: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fgene.2023.1291307/full; https://doaj.org/toc/1664-8021

Access URL: https://doaj.org/article/42efcd3dc5964c3fa2bcda5d1e79ac6b

Beyond structural bioinformatics for genomics with dynamics characterization of an expanded KRAS mutational landscape

Authors: Brian D. Ratnasinghe, Neshatul Haque, Jessica B. Wagenknecht, Davin R. Jensen, Guadalupe K. Valdivia Esparza, Elise N. Leverence, Thiago Milech De Assuncao, Angela J. Mathison, Gwen Lomberk, Brian C. Smith, Brian F. Volkman, Raul Urrutia, Michael T. Zimmermann

Source: Computational and Structural Biotechnology Journal, Vol 21, Iss , Pp 4790-4803 (2023)

Subject Terms: Molecular dynamics, KRAS, Genomics, Cancer, Rare disease, Biotechnology, TP248.13-248.65

File Description: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2001037023003598; https://doaj.org/toc/2001-0370

Access URL: https://doaj.org/article/e4afc6f4318146d9b1881bfb9d51d6e8

A multi-layered computational structural genomics approach enhances domain-specific interpretation of Kleefstra syndrome variants in EHMT1

Authors: Young-In Chi, Salomão D. Jorge, Davin R. Jensen, Brian C. Smith, Brian F. Volkman, Angela J. Mathison, Gwen Lomberk, Michael T. Zimmermann, Raul Urrutia

Source: Computational and Structural Biotechnology Journal, Vol 21, Iss , Pp 5249-5258 (2023)

Subject Terms: EHMT1, GLP, Epigenetic regulator, Histone methyltransferase, Gene variation, Kleefstra syndrome, Biotechnology, TP248.13-248.65

File Description: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2001037023003781; https://doaj.org/toc/2001-0370

Access URL: https://doaj.org/article/9c19c7d1321f48649e22f30b026ca4ac

Synthesis of fluorinated triphenylphosphonium analogs that improve cancer cell selectivity and in vivo detection

Authors: Robert F. Keyes, Donna McAllister, Michael B. Dwinell, Brian C. Smith

Source: STAR Protocols, Vol 4, Iss 3, Pp 102437- (2023)

Subject Terms: Cancer, Chemistry, Metabolism, Model Organisms, NMR, Science (General), Q1-390

File Description: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2666166723004045; https://doaj.org/toc/2666-1667

Access URL: https://doaj.org/article/497bda50d3b54c428bd4084a75c9748d

Current Trends in Sirtuin Activator and Inhibitor Development

Authors: Karina L. Bursch, Christopher J. Goetz, Brian C. Smith

Source: Molecules, Vol 29, Iss 5, p 1185 (2024)

Subject Terms: sirtuins, epigenetics, lysine deacylation, drug development, Organic chemistry, QD241-441

File Description: electronic resource

Relation: https://www.mdpi.com/1420-3049/29/5/1185; https://doaj.org/toc/1420-3049

Access URL: https://doaj.org/article/93ab85f7301a4088977ecd173ca0670c

Pharmacological inhibition of the acetyltransferase Tip60 mitigates myocardial infarction injury

Authors: Xinrui Wang, Tina C. Wan, Katherine R. Kulik, Amelia Lauth, Brian C. Smith, John W. Lough, John A. Auchampach

Source: Disease Models & Mechanisms, Vol 16, Iss 5 (2023)

Subject Terms: apoptosis, cardioprotection, cardiomyocyte proliferation, cell-cycle activation, myocardial infarction, regeneration, tip60, th1834, Medicine, Pathology, RB1-214

File Description: electronic resource

Relation: http://dmm.biologists.org/content/16/5/dmm049786; https://doaj.org/toc/1754-8403; https://doaj.org/toc/1754-8411

Access URL: https://doaj.org/article/0c1b7ee7c7c248fc8962ed361b293697

Structural bioinformatics enhances the interpretation of somatic mutations in KDM6A found in human cancers

Authors: Young-In Chi, Timothy J. Stodola, Thiago M. De Assuncao, Elise N. Leverence, Brian C. Smith, Brian F. Volkman, Angela J. Mathison, Gwen Lomberk, Michael T. Zimmermann, Raul Urrutia

Source: Computational and Structural Biotechnology Journal, Vol 20, Iss , Pp 2200-2211 (2022)

Subject Terms: Protein structure, Molecular dynamics, Genomic variation, Mutational impact analysis, KDM6A, Epigenetic regulator, Biotechnology, TP248.13-248.65

File Description: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2001037022001453; https://doaj.org/toc/2001-0370

Access URL: https://doaj.org/article/d2eb5f5b5ae74f5cbcdb4f033d997b77

Fluorinated triphenylphosphonium analogs improve cell selectivity and in vivo detection of mito-metformin

Authors: Mahmoud AbuEid, Robert F. Keyes, Donna McAllister, Francis Peterson, Ishaque Pulikkal Kadamberi, Daniel J. Sprague, Pradeep Chaluvally-Raghavan, Brian C. Smith, Michael B. Dwinell

Source: iScience, Vol 25, Iss 12, Pp 105670- (2022)

Subject Terms: Pharmaceutical science, chemistry, biological sciences, biochemistry, Science

File Description: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2589004222019423; https://doaj.org/toc/2589-0042

Access URL: https://doaj.org/article/99c2993a07b44cb29438e9d937acc2d1

N-terminal BET bromodomain inhibitors disrupt a BRD4-p65 interaction and reduce inducible nitric oxide synthase transcription in pancreatic β-cells

Authors: Joshua A. Nord, Sarah L. Wynia-Smith, Alyssa L. Gehant, Rachel A. Jones Lipinski, Aaron Naatz, Inmaculada Rioja, Rab K. Prinjha, John A. Corbett, Brian C. Smith

Source: Frontiers in Endocrinology, Vol 13 (2022)

Subject Terms: BET bromodomain, BRD4, diabetes, small molecule inhibitor, iNOS, nitric oxide, Diseases of the endocrine glands. Clinical endocrinology, RC648-665

File Description: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fendo.2022.923925/full; https://doaj.org/toc/1664-2392

Access URL: https://doaj.org/article/cb05e51596ea4c4db54e368ed7161c17

Molecular mechanics and dynamic simulations of well-known Kabuki syndrome-associated KDM6A variants reveal putative mechanisms of dysfunction

Authors: Young-In Chi, Timothy J. Stodola, Thiago M. De Assuncao, Elise N. Levrence, Swarnendu Tripathi, Nikita R. Dsouza, Angela J. Mathison, Donald G. Basel, Brian F. Volkman, Brian C. Smith, Gwen Lomberk, Michael T. Zimmermann, Raul Urrutia

Source: Orphanet Journal of Rare Diseases, Vol 16, Iss 1, Pp 1-15 (2021)

Subject Terms: KDM6A, Epigenetic regulators, Histone demethylase, Genomic variation, Kabuki syndrome, Mutational impact analysis, Medicine

File Description: electronic resource

Relation: https://doaj.org/toc/1750-1172

Access URL: https://doaj.org/article/34e18bd080514777804471ce11d0cb8c

ICEKAT: an interactive online tool for calculating initial rates from continuous enzyme kinetic traces

Authors: Michael D. Olp, Kelsey S. Kalous, Brian C. Smith

Source: BMC Bioinformatics, Vol 21, Iss 1, Pp 1-12 (2020)

Subject Terms: Enzyme assay, Enzyme inhibition, Computer program, Michaelis-Menten, Sirtuin, Computer applications to medicine. Medical informatics, R858-859.7, Biology (General), QH301-705.5

File Description: electronic resource

Relation: http://link.springer.com/article/10.1186/s12859-020-3513-y; https://doaj.org/toc/1471-2105

Access URL: https://doaj.org/article/460529242a0449538ebaa2be85465b6d

Sirtuin Oxidative Post-translational Modifications

Authors: Kelsey S. Kalous, Sarah L. Wynia-Smith, Brian C. Smith

Source: Frontiers in Physiology, Vol 12 (2021)

Subject Terms: sirtuin (SIRT), nitrosation, glutathionylation, sulfhydration, sulfenylation, nitration, Physiology, QP1-981

File Description: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fphys.2021.763417/full; https://doaj.org/toc/1664-042X

Access URL: https://doaj.org/article/6c73bd3b04864ad2be85781ed3403023

Correction to: Molecular mechanics and dynamic simulations of well-known Kabuki syndrome-associated KDM6A variants reveal putative mechanisms of dysfunction

Authors: Young-In Chi, Timothy J. Stodola, Thiago M. De Assuncao, Elise N. Levrence, Swarnendu Tripathi, Nikita R. Dsouza, Angela J. Mathison, Donald G. Basel, Brian F. Volkman, Brian C. Smith, Gwen Lomberk, Michael T. Zimmermann, Raul Urrutia

Source: Orphanet Journal of Rare Diseases, Vol 16, Iss 1, Pp 1-1 (2021)

Subject Terms: Medicine

File Description: electronic resource

Relation: https://doaj.org/toc/1750-1172

Access URL: https://doaj.org/article/6dedcc03033241e487a15ec0a85fcb4a

Nitric Oxide Mediates Biofilm Formation and Symbiosis in Silicibacter sp. Strain TrichCH4B

Authors: Minxi Rao, Brian C. Smith, Michael A. Marletta

Source: mBio, Vol 6, Iss 3 (2015)

Subject Terms: Microbiology, QR1-502

File Description: electronic resource

Relation: https://doaj.org/toc/2150-7511

Access URL: https://doaj.org/article/7d387db3e4b34ca0932b46dbe03f65de

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