Search Results - "Hack MD"

Quantum Pharmacophore-Based Virtual Screening Enables Prospective Discovery of Chemotype-Diverse Dengue NS5 Inhibitors.

Authors: Martinov MN Van Den Bergh A Jacoby E et al.

Source: Journal of chemical information and modeling [J Chem Inf Model] 2026 Jul 16. Date of Electronic Publication: 2026 Jul 16.

Publication Type: Journal Article

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-960X (Electronic) Linking ISSN: 15499596 NLM ISO Abbreviation: J Chem Inf Model Subsets: MEDLINE

Optimization of Covalent 6-Cyanoquinazoline KRAS^G12C Inhibitors for the Treatment of Solid Tumors.

Authors: Waldo JP Krawczuk PJ Kelly CB et al.

Source: Journal of medicinal chemistry [J Med Chem] 2026 Apr 23; Vol. 69 (8), pp. 9163-9195. Date of Electronic Publication: 2026 Apr 01.

Publication Type: Journal Article

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 9716531 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-4804 (Electronic) Linking ISSN: 00222623 NLM ISO Abbreviation: J Med Chem Subsets: MEDLINE

Joint evolution of the biogeography and phenology of seasonal migration.

Authors: Winger BM La Sorte FA Hack MD et al.

Source: PNAS nexus [PNAS Nexus] 2025 Aug 05; Vol. 4 (8), pp. pgaf247. Date of Electronic Publication: 2025 Aug 05 (Print Publication: 2025).

Publication Type: Journal Article

Journal Info: Publisher: Oxford University Press on behalf of the National Academy of Sciences Country of Publication: England NLM ID: 9918367777906676 Publication Model: eCollection Cited Medium: Internet ISSN: 2752-6542 (Electronic) Linking ISSN: 27526542 NLM ISO Abbreviation: PNAS Nexus Subsets: PubMed not MEDLINE

Input Pose is Key to Performance of Free Energy Perturbation: Benchmarking with Monoacylglycerol Lipase.

Authors: Ohadi D Kumar K Ravula S et al.

Source: Journal of chemical information and modeling [J Chem Inf Model] 2024 Dec 09; Vol. 64 (23), pp. 8859-8869. Date of Electronic Publication: 2024 Nov 19.

Publication Type: Journal Article

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-960X (Electronic) Linking ISSN: 15499596 NLM ISO Abbreviation: J Chem Inf Model Subsets: MEDLINE

An Analysis of Different Components of a High-Throughput Screening Library.

Authors: Saha A Varghese T Liu A et al.

Source: Journal of chemical information and modeling [J Chem Inf Model] 2018 Oct 22; Vol. 58 (10), pp. 2057-2068. Date of Electronic Publication: 2018 Sep 26.

Publication Type: Journal Article

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-960X (Electronic) Linking ISSN: 15499596 NLM ISO Abbreviation: J Chem Inf Model Subsets: MEDLINE

Structural Basis of Small-Molecule Aggregate Induced Inhibition of a Protein-Protein Interaction.

Authors: Blevitt JM Hack MD Herman KL et al.

Source: Journal of medicinal chemistry [J Med Chem] 2017 Apr 27; Vol. 60 (8), pp. 3511-3517. Date of Electronic Publication: 2017 Mar 16.

Publication Type: Journal Article; Research Support, Non-U.S. Gov't

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 9716531 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-4804 (Electronic) Linking ISSN: 00222623 NLM ISO Abbreviation: J Med Chem Subsets: MEDLINE

A Single Amino Acid Difference between Mouse and Human 5-Lipoxygenase Activating Protein (FLAP) Explains the Speciation and Differential Pharmacology of Novel FLAP Inhibitors.

Authors: Blevitt JM Hack MD Herman K et al.

Source: The Journal of biological chemistry [J Biol Chem] 2016 Jun 10; Vol. 291 (24), pp. 12724-12731. Date of Electronic Publication: 2016 Apr 16.

Publication Type: Journal Article; Research Support, Non-U.S. Gov't

Journal Info: Publisher: Elsevier Inc. on behalf of American Society for Biochemistry and Molecular Biology Country of Publication: United States NLM ID: 2985121R Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1083-351X (Electronic) Linking ISSN: 00219258 NLM ISO Abbreviation: J Biol Chem Subsets: MEDLINE

The effect of pK(a) on pyrimidine/pyridine-derived histamine H4 ligands.

Authors: Savall BM Meduna SP Venable J et al.

Source: Bioorganic & medicinal chemistry letters [Bioorg Med Chem Lett] 2014 Dec 01; Vol. 24 (23), pp. 5489-92. Date of Electronic Publication: 2014 Oct 13.

Publication Type: Journal Article

Journal Info: Publisher: Elsevier Science Ltd Country of Publication: England NLM ID: 9107377 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1464-3405 (Electronic) Linking ISSN: 0960894X NLM ISO Abbreviation: Bioorg Med Chem Lett Subsets: MEDLINE

Discovery and SAR of 6-alkyl-2,4-diaminopyrimidines as histamine H₄ receptor antagonists.

Authors: Savall BM Chavez F Tays K et al.

Source: Journal of medicinal chemistry [J Med Chem] 2014 Mar 27; Vol. 57 (6), pp. 2429-39. Date of Electronic Publication: 2014 Feb 21.

Publication Type: Journal Article

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 9716531 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-4804 (Electronic) Linking ISSN: 00222623 NLM ISO Abbreviation: J Med Chem Subsets: MEDLINE

Library enhancement through the wisdom of crowds.

Authors: Hack MD Rassokhin DN Buyck C et al.

Source: Journal of chemical information and modeling [J Chem Inf Model] 2011 Dec 27; Vol. 51 (12), pp. 3275-86. Date of Electronic Publication: 2011 Nov 14.

Publication Type: Journal Article; Research Support, Non-U.S. Gov't

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-960X (Electronic) Linking ISSN: 15499596 NLM ISO Abbreviation: J Chem Inf Model Subsets: MEDLINE

Discovery and synthesis of 6,7,8,9-tetrahydro-5H-pyrimido-[4,5-d]azepines as novel TRPV1 antagonists.

Authors: Hawryluk NA Merit JE Lebsack AD et al.

Source: Bioorganic & medicinal chemistry letters [Bioorg Med Chem Lett] 2010 Dec 01; Vol. 20 (23), pp. 7137-41. Date of Electronic Publication: 2010 Sep 17.

Publication Type: Journal Article

Journal Info: Publisher: Elsevier Science Ltd Country of Publication: England NLM ID: 9107377 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1464-3405 (Electronic) Linking ISSN: 0960894X NLM ISO Abbreviation: Bioorg Med Chem Lett Subsets: MEDLINE

Discovery of the first known small-molecule inhibitors of heme-regulated eukaryotic initiation factor 2alpha (HRI) kinase.

Authors: Rosen MD Woods CR Goldberg SD et al.

Source: Bioorganic & medicinal chemistry letters [Bioorg Med Chem Lett] 2009 Dec 01; Vol. 19 (23), pp. 6548-51. Date of Electronic Publication: 2009 Oct 13.

Publication Type: Journal Article

Journal Info: Publisher: Elsevier Science Ltd Country of Publication: England NLM ID: 9107377 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1464-3405 (Electronic) Linking ISSN: 0960894X NLM ISO Abbreviation: Bioorg Med Chem Lett Subsets: MEDLINE

Identification and synthesis of 2,7-diamino-thiazolo[5,4-d]pyrimidine derivatives as TRPV1 antagonists.

Authors: Lebsack AD Branstetter BJ Hack MD et al.

Source: Bioorganic & medicinal chemistry letters [Bioorg Med Chem Lett] 2009 Jan 01; Vol. 19 (1), pp. 40-6. Date of Electronic Publication: 2008 Nov 13.

Publication Type: Journal Article

Journal Info: Publisher: Elsevier Science Ltd Country of Publication: England NLM ID: 9107377 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1464-3405 (Electronic) Linking ISSN: 0960894X NLM ISO Abbreviation: Bioorg Med Chem Lett Subsets: MEDLINE

Discovery of potent cholecystokinin-2 receptor antagonists: elucidation of key pharmacophore elements by X-ray crystallographic and NMR conformational analysis.

Authors: Rosen MD Hack MD Allison BD et al.

Source: Bioorganic & medicinal chemistry [Bioorg Med Chem] 2008 Apr 01; Vol. 16 (7), pp. 3917-25. Date of Electronic Publication: 2008 Feb 05.

Publication Type: Journal Article

Journal Info: Publisher: Elsevier Science Country of Publication: England NLM ID: 9413298 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1464-3391 (Electronic) Linking ISSN: 09680896 NLM ISO Abbreviation: Bioorg Med Chem Subsets: MEDLINE

Synthesis and solid-phase purification of anthranilic sulfonamides as CCK-2 ligands.

Authors: Woods CR Hack MD Allison BD et al.

Source: Bioorganic & medicinal chemistry letters [Bioorg Med Chem Lett] 2007 Dec 15; Vol. 17 (24), pp. 6905-9. Date of Electronic Publication: 2007 Sep 29.

Publication Type: Journal Article

Journal Info: Publisher: Elsevier Science Ltd Country of Publication: England NLM ID: 9107377 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1464-3405 (Electronic) Linking ISSN: 0960894X NLM ISO Abbreviation: Bioorg Med Chem Lett Subsets: MEDLINE

2-Aryl benzimidazoles featuring alkyl-linked pendant alcohols and amines as inhibitors of checkpoint kinase Chk2.

Authors: Neff DK Lee-Dutra A Blevitt JM et al.

Source: Bioorganic & medicinal chemistry letters [Bioorg Med Chem Lett] 2007 Dec 01; Vol. 17 (23), pp. 6467-71. Date of Electronic Publication: 2007 Oct 04.

Publication Type: Comparative Study; Journal Article

Journal Info: Publisher: Elsevier Science Ltd Country of Publication: England NLM ID: 9107377 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1464-3405 (Electronic) Linking ISSN: 0960894X NLM ISO Abbreviation: Bioorg Med Chem Lett Subsets: MEDLINE

SAR studies of 1,5-diarylpyrazole-based CCK1 receptor antagonists.

Authors: Gomez L Hack MD McClure K et al.

Source: Bioorganic & medicinal chemistry letters [Bioorg Med Chem Lett] 2007 Dec 01; Vol. 17 (23), pp. 6493-8. Date of Electronic Publication: 2007 Oct 01.

Publication Type: Comparative Study; Journal Article

Journal Info: Publisher: Elsevier Science Ltd Country of Publication: England NLM ID: 9107377 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1464-3405 (Electronic) Linking ISSN: 0960894X NLM ISO Abbreviation: Bioorg Med Chem Lett Subsets: MEDLINE

R3(BDelta23 27)R/I5 chimeric peptide, a selective antagonist for GPCR135 and GPCR142 over relaxin receptor LGR7: in vitro and in vivo characterization.

Authors: Kuei C Sutton S Bonaventure P et al.

Source: The Journal of biological chemistry [J Biol Chem] 2007 Aug 31; Vol. 282 (35), pp. 25425-35. Date of Electronic Publication: 2007 Jul 02.

Publication Type: Journal Article

Journal Info: Publisher: Elsevier Inc. on behalf of American Society for Biochemistry and Molecular Biology Country of Publication: United States NLM ID: 2985121R Publication Model: Print-Electronic Cited Medium: Print ISSN: 0021-9258 (Print) Linking ISSN: 00219258 NLM ISO Abbreviation: J Biol Chem Subsets: MEDLINE

Tetrahydroindazole inhibitors of bacterial type II topoisomerases. Part 2: SAR development and potency against multidrug-resistant strains.

Authors: Wiener JJ Gomez L Venkatesan H et al.

Source: Bioorganic & medicinal chemistry letters [Bioorg Med Chem Lett] 2007 May 15; Vol. 17 (10), pp. 2718-22. Date of Electronic Publication: 2007 Mar 06.

Publication Type: Journal Article

Journal Info: Publisher: Elsevier Science Ltd Country of Publication: England NLM ID: 9107377 Publication Model: Print-Electronic Cited Medium: Print ISSN: 0960-894X (Print) Linking ISSN: 0960894X NLM ISO Abbreviation: Bioorg Med Chem Lett Subsets: MEDLINE

Novel pyrazole derivatives as potent inhibitors of type II topoisomerases. Part 1: synthesis and preliminary SAR analysis.

Authors: Gomez L Hack MD Wu J et al.

Source: Bioorganic & medicinal chemistry letters [Bioorg Med Chem Lett] 2007 May 15; Vol. 17 (10), pp. 2723-7. Date of Electronic Publication: 2007 Mar 06.

Publication Type: Journal Article

Journal Info: Publisher: Elsevier Science Ltd Country of Publication: England NLM ID: 9107377 Publication Model: Print-Electronic Cited Medium: Print ISSN: 0960-894X (Print) Linking ISSN: 0960894X NLM ISO Abbreviation: Bioorg Med Chem Lett Subsets: MEDLINE