BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

1291 related articles for article (PubMed ID: 28486912)

  • 1. Structural Investigation of Vinca Domain Tubulin Binders by Pharmacophore, Atom based QSAR, Docking and Molecular Dynamics Simulations.
    Athar M; Lone MY; Khedkar VM; Radadiya A; Shah A; Jha PC
    Comb Chem High Throughput Screen; 2017; 20(8):682-695. PubMed ID: 28486912
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 3D QSAR, Docking, Molecular Dynamics Simulations and MM-GBSA studies of Extended Side Chain of the Antitubercular Drug (6S) 2-Nitro-6- {[4-(trifluoromethoxy) benzyl] oxy}-6,7-dihydro-5H-imidazo[2,1-b] [1,3] oxazine.
    Chaudhari HK; Pahelkar A
    Infect Disord Drug Targets; 2019; 19(2):145-166. PubMed ID: 30324898
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Pharmacophore generation, atom-based 3D-QSAR, molecular docking and molecular dynamics simulation studies on benzamide analogues as FtsZ inhibitors.
    Tripathy S; Azam MA; Jupudi S; Sahu SK
    J Biomol Struct Dyn; 2018 Sep; 36(12):3218-3230. PubMed ID: 28938860
    [TBL] [Abstract][Full Text] [Related]  

  • 4. A mechanistic approach to explore novel HDAC1 inhibitor using pharmacophore modeling, 3D- QSAR analysis, molecular docking, density functional and molecular dynamics simulation study.
    Choubey SK; Jeyaraman J
    J Mol Graph Model; 2016 Nov; 70():54-69. PubMed ID: 27668885
    [TBL] [Abstract][Full Text] [Related]  

  • 5. A combination of pharmacophore modeling, atom-based 3D-QSAR, molecular docking and molecular dynamics simulation studies on PDE4 enzyme inhibitors.
    Tripuraneni NS; Azam MA
    J Biomol Struct Dyn; 2016 Nov; 34(11):2481-92. PubMed ID: 26587754
    [TBL] [Abstract][Full Text] [Related]  

  • 6. In silico exploration of c-KIT inhibitors by pharmaco-informatics methodology: pharmacophore modeling, 3D QSAR, docking studies, and virtual screening.
    Chaudhari P; Bari S
    Mol Divers; 2016 Feb; 20(1):41-53. PubMed ID: 26416560
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Screening for the selective inhibitors of MMP-9 from natural products based on pharmacophore modeling and molecular docking in combination with bioassay experiment, hybrid QM/MM calculation, and MD simulation.
    Hou J; Zou Q; Wang Y; Gao Q; Yao W; Yao Q; Zhang J
    J Biomol Struct Dyn; 2019 Aug; 37(12):3135-3149. PubMed ID: 30079817
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Identification of potential PKC inhibitors through pharmacophore designing, 3D-QSAR and molecular dynamics simulations targeting Alzheimer's disease.
    Iqbal S; Anantha Krishnan D; Gunasekaran K
    J Biomol Struct Dyn; 2018 Nov; 36(15):4029-4044. PubMed ID: 29182053
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Anti-tubulin agents of natural origin: Targeting taxol, vinca, and colchicine binding domains.
    Naaz F; Haider MR; Shafi S; Yar MS
    Eur J Med Chem; 2019 Jun; 171():310-331. PubMed ID: 30953881
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Ligand-based pharmacophore modelling and virtual screening for the identification of amyloid-beta diagnostic molecules.
    Marondedze EF; Govender KK; Govender PP
    J Mol Graph Model; 2020 Dec; 101():107711. PubMed ID: 32898834
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Identification of selective MMP-9 inhibitors through multiple e-pharmacophore, ligand-based pharmacophore, molecular docking, and density functional theory approaches.
    Jana S; Singh SK
    J Biomol Struct Dyn; 2019 Mar; 37(4):944-965. PubMed ID: 29475408
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Pharmacophore-based virtual screening, 3D QSAR, Docking, ADMET, and MD simulation studies: An in silico perspective for the identification of new potential HDAC3 inhibitors.
    Lanka G; Begum D; Banerjee S; Adhikari N; P Y; Ghosh B
    Comput Biol Med; 2023 Nov; 166():107481. PubMed ID: 37741229
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Molecular docking based virtual screening of natural compounds as potential BACE1 inhibitors: 3D QSAR pharmacophore mapping and molecular dynamics analysis.
    Kumar A; Roy S; Tripathi S; Sharma A
    J Biomol Struct Dyn; 2016; 34(2):239-49. PubMed ID: 25707809
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Pharmacophore and Docking Guided Virtual Screening Study for Discovery of Type I Inhibitors of VEGFR-2 Kinase.
    Bhojwani HR; Joshi UJ
    Curr Comput Aided Drug Des; 2017; 13(3):186-207. PubMed ID: 27981900
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Pharmacophore generation, atom-based 3D-QSAR and molecular dynamics simulation analyses of pyridine-3-carboxamide-6-yl-urea analogues as potential gyrase B inhibitors.
    Azam MA; Thathan J
    SAR QSAR Environ Res; 2017 Apr; 28(4):275-296. PubMed ID: 28399673
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Targeting the NF-κB/IκBα complex via fragment-based E-Pharmacophore virtual screening and binary QSAR models.
    Kanan T; Kanan D; Erol I; Yazdi S; Stein M; Durdagi S
    J Mol Graph Model; 2019 Jan; 86():264-277. PubMed ID: 30415122
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Multiple receptor-ligand based pharmacophore modeling and molecular docking to screen the selective inhibitors of matrix metalloproteinase-9 from natural products.
    Gao Q; Wang Y; Hou J; Yao Q; Zhang J
    J Comput Aided Mol Des; 2017 Jul; 31(7):625-641. PubMed ID: 28623487
    [TBL] [Abstract][Full Text] [Related]  

  • 18. In silico studies on potential MCF-7 inhibitors: a combination of pharmacophore and 3D-QSAR modeling, virtual screening, molecular docking, and pharmacokinetic analysis.
    Badhani B; Kakkar R
    J Biomol Struct Dyn; 2017 Jul; 35(9):1950-1967. PubMed ID: 27401212
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Identification of Essential 2D and 3D Chemical Features for Discovery of the Novel Tubulin Polymerization Inhibitors.
    Azimi F; Ghasemi JB; Saghaei L; Hassanzadeh F; Mahdavi M; Sadeghi-Aliabadi H; Scotti MT; Scotti L
    Curr Top Med Chem; 2019; 19(13):1092-1120. PubMed ID: 31109275
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Novel tumor necrosis factor-α (TNF-α) inhibitors from small molecule library screening for their therapeutic activity profiles against rheumatoid arthritis using target-driven approaches and binary QSAR models.
    Zaka M; Abbasi BH; Durdagi S
    J Biomol Struct Dyn; 2019 Jun; 37(9):2464-2476. PubMed ID: 30047845
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 65.