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 *

115 related articles for article (PubMed ID: 36134594)

  • 1. Structure-based virtual screening, molecular docking, molecular dynamics simulation and MM/PBSA calculations towards identification of steroidal and non-steroidal selective glucocorticoid receptor modulators.
    Zare F; Solhjoo A; Sadeghpour H; Sakhteman A; Dehshahri A
    J Biomol Struct Dyn; 2023; 41(16):7640-7650. PubMed ID: 36134594
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Structure-based virtual screening, molecular dynamics simulation and MM-PBSA toward identifying the inhibitors for two-component regulatory system protein NarL of
    Kumar N; Srivastava R; Prakash A; Lynn AM
    J Biomol Struct Dyn; 2020 Jul; 38(11):3396-3410. PubMed ID: 31422761
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Drug repositioning to propose alternative modulators for glucocorticoid receptor through structure-based virtual screening.
    Metin R; Akten ED
    J Biomol Struct Dyn; 2022; 40(21):11418-11433. PubMed ID: 34355665
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Inhibitor screening for volume-sensitive LRRC8A chloride channel.
    Liu C; Cui W; Zhu K; Yuan S; Sun L; Liang Y; Lu J; Li D; Deng Z; Duan L; Zhang W; Yu X; Wang D; Zhang H
    J Biomol Struct Dyn; 2023 Oct; ():1-9. PubMed ID: 37902556
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Discovery of novel non-steroidal selective glucocorticoid receptor modulators by structure- and IGN-based virtual screening, structural optimization, and biological evaluation.
    Hu X; Pang J; Chen C; Jiang D; Shen C; Chai X; Yang L; Zhang X; Xu L; Cui S; Hou T; Li D
    Eur J Med Chem; 2022 Jul; 237():114382. PubMed ID: 35483323
    [TBL] [Abstract][Full Text] [Related]  

  • 6. A novel identification approach for discovery of 5-HydroxyTriptamine 2A antagonists: combination of 2D/3D similarity screening, molecular docking and molecular dynamics.
    Kumar R; Jade D; Gupta D
    J Biomol Struct Dyn; 2019 Mar; 37(4):931-943. PubMed ID: 29468945
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Structure-based virtual screening, molecular simulation and free energy calculations of traditional Chinese medicine, ZINC database revealed potent inhibitors of estrogen-receptor α (ERα).
    Shahab M; Zulfat M; Zheng G
    J Biomol Struct Dyn; 2023 Oct; ():1-14. PubMed ID: 37904521
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Virtual screening, pharmacokinetics, molecular dynamics and binding free energy analysis for small natural molecules against cyclin-dependent kinase 5 for Alzheimer's disease.
    Shukla R; Singh TR
    J Biomol Struct Dyn; 2020 Jan; 38(1):248-262. PubMed ID: 30688165
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Rational design of thiazolidine-4-one-gallic acid hybrid derivatives as selective partial PPARγ modulators: an in-silico approach for type 2 diabetes treatment.
    Aryan ; Babu B; Divakar S; Gowramma B; Jupudi S; Chand J; Malakar Kumar V
    J Biomol Struct Dyn; 2023 Nov; ():1-15. PubMed ID: 37997952
    [TBL] [Abstract][Full Text] [Related]  

  • 10. High-throughput virtual screening of novel potent inhibitor(s) for Human Vanin-1 enzyme.
    Gurung AB; Bhutia JT; Bhattacharjee A
    J Biomol Struct Dyn; 2022 Jun; 40(9):4208-4223. PubMed ID: 33289461
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Exploring CIP2A modulators using multiple molecular modeling approaches.
    Bhowmick S; Roy K; Saha A
    J Biomol Struct Dyn; 2022 Feb; 40(3):1048-1063. PubMed ID: 32930061
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Pharmacophore model-based virtual screening, docking, biological evaluation and molecular dynamics simulations for inhibitors discovery against
    Naz S; Farooq U; Khan S; Sarwar R; Mabkhot YN; Saeed M; Alsayari A; Muhsinah AB; Ul-Haq Z
    J Biomol Struct Dyn; 2021 Feb; 39(2):610-620. PubMed ID: 31937192
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Repurposing of phyto-ligand molecules from the honey bee products for Alzheimer's disease as novel inhibitors of BACE-1: small molecule bioinformatics strategies as amyloid-based therapy.
    Nisa N; Rasmita B; Arati C; Uditraj C; Siddhartha R; Dinata R; Bhanushree B; Bidanchi RM; Manikandan B; Laskar SA; Abinash G; Pori B; Roy VK; Gurusubramanian G
    Environ Sci Pollut Res Int; 2023 Apr; 30(17):51143-51169. PubMed ID: 36808033
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Identification of promising molecules against MurD ligase from Acinetobacter baumannii: insights from comparative protein modelling, virtual screening, molecular dynamics simulations and MM/PBSA analysis.
    Jha RK; Khan RJ; Amera GM; Singh E; Pathak A; Jain M; Muthukumaran J; Singh AK
    J Mol Model; 2020 Oct; 26(11):304. PubMed ID: 33068184
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Isatin-based virtual high throughput screening, molecular docking, DFT, QM/MM, MD and MM-PBSA study of novel inhibitors of SARS-CoV-2 main protease.
    Varadharajan V; Arumugam GS; Shanmugam S
    J Biomol Struct Dyn; 2022 Oct; 40(17):7852-7867. PubMed ID: 33764269
    [TBL] [Abstract][Full Text] [Related]  

  • 16. The molecular docking and molecular dynamics study of flavonol synthase and flavonoid 3'-monooxygenase enzymes involved for the enrichment of kaempferol.
    Kumari G; Nigam VK; Pandey DM
    J Biomol Struct Dyn; 2023 Apr; 41(6):2478-2491. PubMed ID: 35105279
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Molecular docking study and molecular dynamic simulation of human cyclooxygenase-2 (COX-2) with selected eutypoids.
    Taidi L; Maurady A; Britel MR
    J Biomol Struct Dyn; 2022 Feb; 40(3):1189-1204. PubMed ID: 32990169
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Identification of novel potential cyclooxygenase-2 inhibitors using ligand- and structure-based virtual screening approaches.
    Cruz JV; Giuliatti S; Alves LB; Silva RC; Ferreira EFB; Kimani NM; Silva CHTP; Souza JSN; Espejo-Román JM; Santos CBR
    J Biomol Struct Dyn; 2022 Aug; 40(12):5386-5408. PubMed ID: 33427075
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Structure-based drug designing against
    Sarma M; Borkotoky S; Dubey VK
    J Biomol Struct Dyn; 2023 Jul; ():1-9. PubMed ID: 37491862
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Potential inhibitors for FKBP51: an
    Barge S; Jade D; Ayyamperumal S; Manna P; Borah J; Nanjan CMJ; Nanjan MJ; Talukdar NC
    J Biomol Struct Dyn; 2022; 40(24):13799-13811. PubMed ID: 34709133
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.