These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

120 related articles for article (PubMed ID: 29658431)

  • 1. In silico identification and screening of CYP24A1 inhibitors: 3D QSAR pharmacophore mapping and molecular dynamics analysis.
    Jayaraj JM; Krishnasamy G; Lee JK; Muthusamy K
    J Biomol Struct Dyn; 2019 Apr; 37(7):1700-1714. PubMed ID: 29658431
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Analysis of the binding sites of vitamin D 1α-hydroxylase (CYP27B1) and vitamin D 24-hydroxylase (CYP24A1) for the design of selective CYP24A1 inhibitors: Homology modelling, molecular dynamics simulations and identification of key binding requirements.
    Taban IM; Zhu J; DeLuca HF; Simons C
    Bioorg Med Chem; 2017 Oct; 25(20):5629-5636. PubMed ID: 28886997
    [TBL] [Abstract][Full Text] [Related]  

  • 3. A theoretical insight to understand the molecular mechanism of dual target ligand CTA-018 in the chronic kidney disease pathogenesis.
    Nagamani S; Muthusamy K
    PLoS One; 2018; 13(10):e0203194. PubMed ID: 30286109
    [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. 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]  

  • 6. Multiple e-pharmacophore modelling pooled with high-throughput virtual screening, docking and molecular dynamics simulations to discover potential inhibitors of Plasmodium falciparum lactate dehydrogenase (PfLDH).
    Saxena S; Durgam L; Guruprasad L
    J Biomol Struct Dyn; 2019 Apr; 37(7):1783-1799. PubMed ID: 29718775
    [TBL] [Abstract][Full Text] [Related]  

  • 7. 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]  

  • 8. 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]  

  • 9. 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]  

  • 10. 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]  

  • 11. 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]  

  • 12. Structural insights on vitamin D receptor and screening of new potent agonist molecules: structure and ligand-based approach.
    Jayaraj JM; Reteti E; Kesavan C; Muthusamy K
    J Biomol Struct Dyn; 2021 Jul; 39(11):4148-4159. PubMed ID: 32462983
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. 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]  

  • 15. 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]  

  • 16. E-pharmacophore filtering and molecular dynamics simulation studies in the discovery of potent drug-like molecules for chronic kidney disease.
    Nagamani S; Muthusamy K; Marshal JJ
    J Biomol Struct Dyn; 2016 Oct; 34(10):2233-2250. PubMed ID: 26513595
    [TBL] [Abstract][Full Text] [Related]  

  • 17. 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]  

  • 18. Novel styryl-indoles as small molecule inhibitors of 25-hydroxyvitamin D-24-hydroxylase (CYP24A1): Synthesis and biological evaluation.
    Ferla S; Gomaa MS; Brancale A; Zhu J; Ochalek JT; DeLuca HF; Simons C
    Eur J Med Chem; 2014 Nov; 87():39-51. PubMed ID: 25240094
    [TBL] [Abstract][Full Text] [Related]  

  • 19. 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]  

  • 20. Atom-based and Pharmacophore-based 3D - QSAR Studies on Vitamin D Receptor (VDR).
    Nagamani S; Kesavan C; Muthusamy K
    Comb Chem High Throughput Screen; 2018; 21(5):329-343. PubMed ID: 29874993
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.