BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

607 related articles for article (PubMed ID: 26587754)

  • 1. 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]  

  • 2. Pharmacophore modeling, 3D-QSAR and docking study of 2-phenylpyrimidine analogues as selective PDE4B inhibitors.
    Tripuraneni NS; Azam MA
    J Theor Biol; 2016 Apr; 394():117-126. PubMed ID: 26804643
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Pharmacophore modeling, 3D-QSAR, and docking study of pyrozolo[1,5-a]pyridine/4,4-dimethylpyrazolone analogues as PDE4 selective inhibitors.
    Tripuraneni NS; Azam MA
    J Mol Model; 2015 Nov; 21(11):289. PubMed ID: 26499496
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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]  

  • 5. 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]  

  • 6. 3D QSAR pharmacophore, CoMFA and CoMSIA based design and docking studies on phenyl alkyl ketones as inhibitors of phosphodiesterase 4.
    Gaurav A; Singh R
    Med Chem; 2012 Sep; 8(5):894-912. PubMed ID: 22741782
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Insight into the structural requirements of thiophene-3-carbonitriles-based MurF inhibitors by 3D-QSAR, molecular docking and molecular dynamics study.
    Azam MA; Jupudi S
    J Recept Signal Transduct Res; 2017 Oct; 37(5):522-534. PubMed ID: 28768454
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Stepwise development of structure-activity relationship of diverse PARP-1 inhibitors through comparative and validated in silico modeling techniques and molecular dynamics simulation.
    Halder AK; Saha A; Saha KD; Jha T
    J Biomol Struct Dyn; 2015; 33(8):1756-79. PubMed ID: 25350685
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. 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]  

  • 11. 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]  

  • 12. Pharmacophore modeling, 3D-QSAR and molecular docking studies of benzimidazole derivatives as potential FXR agonists.
    Sindhu T; Srinivasan P
    J Recept Signal Transduct Res; 2014 Aug; 34(4):241-53. PubMed ID: 25072161
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Validation of TZD Scaffold as Potential ARIs: Pharmacophore Modeling, Atom-based 3D QSAR and Docking Studies.
    Dahiya L; Mahapatra MK; Kaur R; Kumar V; Kumar M
    Comb Chem High Throughput Screen; 2017; 20(4):310-320. PubMed ID: 28302016
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Discovery of promising FtsZ inhibitors by E-pharmacophore, 3D-QSAR, molecular docking study, and molecular dynamics simulation.
    Qiu Y; Zhou L; Hu Y; Bao Y
    J Recept Signal Transduct Res; 2019 Apr; 39(2):154-166. PubMed ID: 31355691
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Combined ligand and structure-based approaches on HIV-1 integrase strand transfer inhibitors.
    Reddy KK; Singh SK
    Chem Biol Interact; 2014 Jul; 218():71-81. PubMed ID: 24792351
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Insight into the interaction mechanism of human SGLT2 with its inhibitors: 3D-QSAR studies, homology modeling, and molecular docking and molecular dynamics simulations.
    Dong L; Feng R; Bi J; Shen S; Lu H; Zhang J
    J Mol Model; 2018 Mar; 24(4):86. PubMed ID: 29511885
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Validation of formylchromane derivatives as protein tyrosine phosphatase 1B inhibitors by pharmacophore modeling, atom-based 3D-QSAR and docking studies.
    Malla P; Kumar R; Kumar M
    Chem Biol Drug Des; 2013 Jul; 82(1):71-80. PubMed ID: 23506477
    [TBL] [Abstract][Full Text] [Related]  

  • 18. The molecular basis for the inhibition of phosphodiesterase-4D by three natural resveratrol analogs. Isolation, molecular docking, molecular dynamics simulations, binding free energy, and bioassay.
    Zhao P; Chen SK; Cai YH; Lu X; Li Z; Cheng YK; Zhang C; Hu X; He X; Luo HB
    Biochim Biophys Acta; 2013 Oct; 1834(10):2089-96. PubMed ID: 23871879
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Pharmacophore modeling, comprehensive 3D-QSAR, and binding mode analysis of TGR5 agonists.
    Sindhu T; Srinivasan P
    J Recept Signal Transduct Res; 2017 Apr; 37(2):109-123. PubMed ID: 27267434
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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]  

    [Next]    [New Search]
    of 31.