يعرض 1 - 10 نتائج من 1,573 نتيجة بحث عن '"3D QSAR"', وقت الاستعلام: 1.07s تنقيح النتائج
  1. 1
    دورية أكاديمية
    Exploring Triazole Derivatives as DPP IV Inhibitors: Advancing Type II Diabetes Treatment via Molecular Structure Investigation and Pharmacophore Modelling

    المؤلفون: Shah, Bhumi M.Aff1, Aff2, Modi, Palmi, Trivedi, PritiAff1, IDs42250023008591_cor3

    المصدر: Chemistry Africa: A Journal of the Tunisian Chemical Society. 7(4):1899-1919

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  2. 2
    دورية أكاديمية
    Clustering of atoms relative to vector space in the Z-matrix coordinate system and ‘graphical fingerprint’ analysis of 3D pharmacophore structure

    المؤلفون: Kızılcan, Dilek Şeyma, Güzel, Yahya, Türkmenoğlu, BurçinAff2, IDs11030023107981_cor3

    المصدر: Molecular Diversity. :1-18

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  3. 3
    دورية أكاديمية
    Investigation of structure–activity relationship: In silico studies of [1, 2, 4]triazolo[4, 3-a]pyridine ureas as P38 kinase inhibitors

    المؤلفون: Aasiya, ChoudharyAff1, Aff2, Mangala, KhandekarAff1, Aff2, Chandrakant, Bagul, Muthal, Amol, Kulkarni, RavindraAff4, IDs11224022020463_cor5

    المصدر: Structural Chemistry: Computational and Experimental Studies of Chemical and Biological Systems. 34(3):915-929

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  4. 4
    دورية أكاديمية
    Lead generation of UPPS inhibitors targeting MRSA: Using 3D-QSAR pharmacophore modeling, virtual screening, molecular docking, and molecular dynamic simulations

    المؤلفون: Qandeel, Basma M.Aff1, IDs13065023011101_cor1, Mowafy, Samar, Abouzid, Khaled, Farag, Nahla A.Aff1, IDs13065023011101_cor4

    المصدر: BMC Chemistry. 18(1)

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  5. 5
    دورية أكاديمية
    Identification of PLK1-PBD Inhibitors from the Library of Marine Natural Products: 3D QSAR Pharmacophore, ADMET, Scaffold Hopping, Molecular Docking, and Molecular Dynamics Study

    المؤلفون: Nan Zhou, Chuangze Zheng, Huiting Tan, Lianxiang Luo

    المصدر: Marine Drugs, Vol 22, Iss 2, p 83 (2024)

    مصطلحات موضوعية: marine natural compounds, PLK1-PBD, 3D QSAR pharmacophore, molecular docking, scaffold hopping, virtual screening, Biology (General), QH301-705.5

    وصف الملف: electronic resource

    Relation: https://www.mdpi.com/1660-3397/22/2/83; https://doaj.org/toc/1660-3397

    URL الوصول: https://doaj.org/article/23462ec7920444aaae607d976f3273f2

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  6. 6
    دورية أكاديمية

    لا يتم عرض هذه النتيجة على الضيوف.

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  7. 7
    دورية أكاديمية
    Cantharidin-Based Verbenone Derivatives as a Novel Insecticide against Plutella xylostella: Design, Synthesis, Insecticidal Activity Evaluation, and 3D QSAR Study

    المؤلفون: Kwanshik Lee, Hossam Nada, Minkyoung Kim, Hyejun Park, Kiho Lee, Dongho Seo, Kyeong Lee, Yongseok Choi

    المصدر: Biomolecules, Vol 13, Iss 8, p 1272 (2023)

    مصطلحات موضوعية: verbenone, cantharidin, insecticide, diamondback moth, synthesis, 3D QSAR, Microbiology, QR1-502

    وصف الملف: electronic resource

    Relation: https://www.mdpi.com/2218-273X/13/8/1272; https://doaj.org/toc/2218-273X

    URL الوصول: https://doaj.org/article/50b40af485d44fd89ede4f494eaf2a9a

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  8. 8
    دورية أكاديمية
    Gaussian field-based comparative 3D QSAR modelling for the identification of favourable pharmacophoric features of chromene derivatives as selective inhibitors of ALR2 over ALR1

    المؤلفون: Verma, Sant Kumar, Kumar, Niraj, Thareja, SureshAff2

    المصدر: Structural Chemistry: Computational and Experimental Studies of Chemical and Biological Systems. 32(3):1289-1298

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  9. 9
    دورية أكاديمية
    3D-QSAR-Based Pharmacophore Modeling, Virtual Screening, and Molecular Dynamics Simulations for the Identification of Spleen Tyrosine Kinase Inhibitors

    المؤلفون: Vikas Kumar, Shraddha Parate, Danishuddin, Amir Zeb, Pooja Singh, Gihwan Lee, Tae Sung Jung, Keun Woo Lee, Min Woo Ha

    المصدر: Frontiers in Cellular and Infection Microbiology, Vol 12 (2022)

    مصطلحات موضوعية: SYK inhibitor, 3D QSAR, pharmacophore, autoimmune diseases, molecular docking, MD simulation, Microbiology, QR1-502

    وصف الملف: electronic resource

    Relation: https://www.frontiersin.org/articles/10.3389/fcimb.2022.909111/full; https://doaj.org/toc/2235-2988

    URL الوصول: https://doaj.org/article/ea1eb675088e4e62bd07745f8e6cee97

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  10. 10
    دورية أكاديمية
    Identification of novel HDAC8 selective inhibitors through ligand and structure based studies: Exploiting the acetate release channel differences among class I isoforms

    المؤلفون: Aparna Vema, Sudhan Debnath, Arunasree M. Kalle

    المصدر: Arabian Journal of Chemistry, Vol 15, Iss 6, Pp 103863- (2022)

    مصطلحات موضوعية: Selective HDAC8 inhibitors, Pharmacophore, Phase 3D QSAR, Virtual screening, In vitro studies, Molecular dynamics, Chemistry, QD1-999

    وصف الملف: electronic resource

    Relation: http://www.sciencedirect.com/science/article/pii/S1878535222001794; https://doaj.org/toc/1878-5352

    URL الوصول: https://doaj.org/article/0f067d9869c04c0cbe95cdb173b846bb

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