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PUBMED FOR HANDHELDS

Journal Abstract Search


200 related items for PubMed ID: 31120925

  • 21. Identification of novel PI3Kδ inhibitors by docking, ADMET prediction and molecular dynamics simulations.
    Liu YY, Feng XY, Jia WQ, Jing Z, Xu WR, Cheng XC.
    Comput Biol Chem; 2019 Feb; 78():190-204. PubMed ID: 30557817
    [Abstract] [Full Text] [Related]

  • 22. Discovery of triazoloquinoxaline as novel STING agonists via structure-based virtual screening.
    Hou H, Yang R, Liu X, Wu X, Zhang S, Chen K, Zheng M.
    Bioorg Chem; 2020 Jul; 100():103958. PubMed ID: 32470762
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  • 23. Transcriptome profiling reveals target in primary myelofibrosis together with structural biology study on novel natural inhibitors regarding JAK2.
    Li W, Yuan B, Zhao Y, Lu T, Zhang S, Ding Z, Wang D, Zhong S, Gao G, Yan M.
    Aging (Albany NY); 2021 Mar 03; 13(6):8248-8275. PubMed ID: 33686952
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  • 24. Virtual Screening of Novel Glucosamine-6-Phosphate Synthase Inhibitors.
    Lather A, Sharma S, Khatkar A.
    Comb Chem High Throughput Screen; 2018 Mar 03; 21(3):182-193. PubMed ID: 29600755
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  • 25. Structure-Activity Relationship Study of Amidobenzimidazole Analogues Leading to Potent and Systemically Administrable Stimulator of Interferon Gene (STING) Agonists.
    Song Z, Wang X, Zhang Y, Gu W, Shen A, Ding C, Li H, Xiao R, Geng M, Xie Z, Zhang A.
    J Med Chem; 2021 Feb 11; 64(3):1649-1669. PubMed ID: 33470814
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  • 26. Identification of potential inhibitors of Fasciola gigantica thioredoxin1: computational screening, molecular dynamics simulation, and binding free energy studies.
    Shukla R, Shukla H, Kalita P, Sonkar A, Pandey T, Singh DB, Kumar A, Tripathi T.
    J Biomol Struct Dyn; 2018 Jun 11; 36(8):2147-2162. PubMed ID: 28627969
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  • 27. Molecular Dynamics as a Tool for Virtual Ligand Screening.
    Menchon G, Maveyraud L, Czaplicki G.
    Methods Mol Biol; 2018 Jun 11; 1762():145-178. PubMed ID: 29594772
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  • 28. Pharmacophore, QSAR, and binding mode studies of substrates of human cytochrome P450 2D6 (CYP2D6) using molecular docking and virtual mutations and an application to chinese herbal medicine screening.
    Mo SL, Liu WF, Li CG, Zhou ZW, Luo HB, Chew H, Liang J, Zhou SF.
    Curr Pharm Biotechnol; 2012 Jul 11; 13(9):1640-704. PubMed ID: 22039821
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  • 29. Lead Molecule Prediction and Characterization for Designing MERS-CoV 3C-like Protease Inhibitors: An In silico Approach.
    Rahman MM, Hosen MB, Howlader MZH, Kabir Y.
    Curr Comput Aided Drug Des; 2019 Jul 11; 15(1):82-88. PubMed ID: 29956635
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  • 30. Development of Orally Bioavailable Amidobenzimidazole Analogues Targeting Stimulator of Interferon Gene (STING) Receptor.
    Chen NN, Zhang H, Zhu QS, Zeng T, Dai W, Zhou YL, Xin GF, Wu BD, Gong SJ, Jiang ZY, You QD, Xu XL.
    J Med Chem; 2023 Apr 27; 66(8):5584-5610. PubMed ID: 37027512
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  • 31. Compounds Identified from Marine Mangrove Plant (Avicennia alba) as Potential Antiviral Drug Candidates Against WDSV, an In-Silico Approach.
    Aljahdali MO, Molla MHR, Ahammad F.
    Mar Drugs; 2021 Apr 28; 19(5):. PubMed ID: 33925208
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  • 32. Computer-aided drug design and virtual screening of targeted combinatorial libraries of mixed-ligand transition metal complexes of 2-butanone thiosemicarbazone.
    Khan T, Ahmad R, Azad I, Raza S, Joshi S, Khan AR.
    Comput Biol Chem; 2018 Aug 28; 75():178-195. PubMed ID: 29883916
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  • 33. Virtual Ligand Screening Using PL-PatchSurfer2, a Molecular Surface-Based Protein-Ligand Docking Method.
    Shin WH, Kihara D.
    Methods Mol Biol; 2018 Aug 28; 1762():105-121. PubMed ID: 29594770
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  • 34. Structure-activity relationship study of amidobenzimidazole derivatives as stimulator of interferon genes (STING) agonists.
    Liu X, Wang M, Yang M, Sun H, Wang B, Pan X, Chen X, Jin J, Wang X.
    Eur J Med Chem; 2023 Jan 15; 246():114943. PubMed ID: 36462438
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  • 35. Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route.
    Vyskocil S, Cardin D, Ciavarri J, Conlon J, Cullis C, England D, Gershman R, Gigstad K, Gipson K, Gould A, Greenspan P, Griffin R, Gulavita N, Harrison S, Hu Z, Hu Y, Hata A, Huang J, Huang SC, Janowick D, Jones M, Kolev V, Langston SP, Lee HM, Li G, Lok D, Ma L, Mai D, Malley J, Matsuda A, Mizutani H, Mizutani M, Molchanova N, Nunes E, Pusalkar S, Renou C, Rowland S, Sato Y, Shaw M, Shen L, Shi Z, Skene R, Soucy F, Stroud S, Xu H, Xu T, Abu-Yousif AO, Zhang J.
    J Med Chem; 2021 May 27; 64(10):6902-6923. PubMed ID: 34000802
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  • 36. Pharmacoinformatics exploration of polyphenol oxidases leading to novel inhibitors by virtual screening and molecular dynamic simulation study.
    Hassan M, Abbas Q, Ashraf Z, Moustafa AA, Seo SY.
    Comput Biol Chem; 2017 Jun 27; 68():131-142. PubMed ID: 28340400
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  • 37. Structural insights into pharmacophore-assisted in silico identification of protein-protein interaction inhibitors for inhibition of human toll-like receptor 4 - myeloid differentiation factor-2 (hTLR4-MD-2) complex.
    Mishra V, Pathak C.
    J Biomol Struct Dyn; 2019 May 27; 37(8):1968-1991. PubMed ID: 29842849
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  • 38. Anticancer flavonoids are mouse-selective STING agonists.
    Kim S, Li L, Maliga Z, Yin Q, Wu H, Mitchison TJ.
    ACS Chem Biol; 2013 Jul 19; 8(7):1396-401. PubMed ID: 23683494
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  • 39. Structure-Based Prediction of G-Protein-Coupled Receptor Ligand Function: A β-Adrenoceptor Case Study.
    Kooistra AJ, Leurs R, de Esch IJ, de Graaf C.
    J Chem Inf Model; 2015 May 26; 55(5):1045-61. PubMed ID: 25848966
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  • 40. Identification of novel G-protein-coupled receptor 40 (GPR40) agonists by hybrid in silico-screening techniques and molecular dynamics simulations thereof.
    Nath V, Ahuja R, Kumar V.
    J Biomol Struct Dyn; 2019 Sep 26; 37(14):3764-3787. PubMed ID: 30252605
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