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 *

112 related articles for article (PubMed ID: 34963425)

  • 1. Structure assignment, conformational properties and discovery of potential targets of the Ugi cinnamic adduct NGI25.
    Georgiou N; Gouleni N; Chontzopoulou E; Skoufas GS; Gkionis A; Tzeli D; Vassiliou S; Mavromoustakos T
    J Biomol Struct Dyn; 2023 Mar; 41(4):1253-1266. PubMed ID: 34963425
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Conformational Properties of New Thiosemicarbazone and Thiocarbohydrazone Derivatives and Their Possible Targets.
    Georgiou N; Katsogiannou A; Skourtis D; Iatrou H; Tzeli D; Vassiliou S; Javornik U; Plavec J; Mavromoustakos T
    Molecules; 2022 Apr; 27(8):. PubMed ID: 35458736
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Conformational Properties and Putative Bioactive Targets for Novel Thiosemicarbazone Derivatives.
    Georgiou N; Cheilari A; Karta D; Chontzopoulou E; Plavec J; Tzeli D; Vassiliou S; Mavromoustakos T
    Molecules; 2022 Jul; 27(14):. PubMed ID: 35889421
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Thiocarbohydrazone and Chalcone-Derived 3,4-Dihydropyrimidinethione as Lipid Peroxidation and Soybean Lipoxygenase Inhibitors.
    Georgiou N; Chontzopoulou E; Cheilari A; Katsogiannou A; Karta D; Vavougyiou K; Hadjipavlou-Litina D; Javornik U; Plavec J; Tzeli D; Vassiliou S; Mavromoustakos T
    ACS Omega; 2023 Apr; 8(13):11966-11977. PubMed ID: 37033811
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Synthesis of Thiazolidin-4-Ones Derivatives, Evaluation of Conformation in Solution, Theoretical Isomerization Reaction Paths and Discovery of Potential Biological Targets.
    Georgiou N; Karta D; Cheilari A; Merzel F; Tzeli D; Vassiliou S; Mavromoustakos T
    Molecules; 2024 May; 29(11):. PubMed ID: 38893334
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Molecular investigation of artificial and natural sweeteners as potential anti-inflammatory agents.
    Chontzopoulou E; Papaemmanouil CD; Chatziathanasiadou MV; Kolokouris D; Kiriakidi S; Konstantinidi A; Gerogianni I; Tselios T; Kostakis IK; Chrysina ED; Hadjipavlou-Litina D; Tzeli D; Tzakos AG; Mavromoustakos T
    J Biomol Struct Dyn; 2022; 40(23):12608-12620. PubMed ID: 34499023
    [TBL] [Abstract][Full Text] [Related]  

  • 7. In silico identification of potential Hsp90 inhibitors via ensemble docking, DFT and molecular dynamics simulations.
    Rezvani S; Ebadi A; Razzaghi-Asl N
    J Biomol Struct Dyn; 2022; 40(21):10665-10676. PubMed ID: 34286666
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Synthesis, structural characterization, DFT calculations, molecular docking, and molecular dynamics simulations of a novel ferrocene derivative to unravel its potential antitumor activity.
    Hammoud MM; Khattab M; Abdel-Motaal M; Van der Eycken J; Alnajjar R; Abulkhair HS; Al-Karmalawy AA
    J Biomol Struct Dyn; 2023 Jul; 41(11):5199-5216. PubMed ID: 35674744
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Screening and identification of secondary metabolites in the bark of
    Khare N; Maheshwari SK; Jha AK
    J Biomol Struct Dyn; 2021 Oct; 39(16):5988-5998. PubMed ID: 32720564
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Highly Viscous Binary Solvents: DMSO-d6/Glycerol and DMSO-d6/Glycerol-d8 for Polar and Apolar Mixture Analysis by NMR.
    Lameiras P; Nuzillard JM
    Anal Chem; 2016 Apr; 88(8):4508-15. PubMed ID: 27008506
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Investigation of intermolecular interactions and stability of verubecestat in the active site of BACE1: Development of first model from QM/MM-based charge density and MD analysis.
    Saravanan K; Sivanandam M; Hunday G; Mathiyalagan L; Kumaradhas P
    J Biomol Struct Dyn; 2019 Jun; 37(9):2339-2354. PubMed ID: 30044206
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Spectroscopic, quantum chemical, molecular docking and molecular dynamics investigations of hydroxylic indole-3-pyruvic acid: a potent candidate for nonlinear optical applications and Alzheimer's drug.
    Koyambo-Konzapa SJ; Mbesse Kongbonga GY; R P; Ramlina Vamhindi BSD; Nsangou M; Franklin Benial AM
    J Biomol Struct Dyn; 2022; 40(21):10651-10664. PubMed ID: 34263703
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Structural analysis of 25-hydroxycholesterol stereoisomers differing in configuration in position 17 and 20, by three-dimensional NMR spectra.
    Misiak M; Koźmiński W; Wójcik J; Siciński RR; Wicha J
    Steroids; 2019 Mar; 143():49-52. PubMed ID: 30582942
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Exploring the different environments effect of piperine via combined crystallographic, QM/MM and molecular dynamics simulation study.
    Saravanan K; Sivanandam M; Hunday G; Pavan MS; Kumaradhas P
    J Mol Graph Model; 2019 Nov; 92():280-295. PubMed ID: 31425905
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Discovery of new potential triplet acting inhibitor for Alzheimer's disease via X-ray crystallography, molecular docking and molecular dynamics.
    Sivakumar M; Saravanan K; Saravanan V; Sugarthi S; Kumar SM; Alhaji Isa M; Rajakumar P; Aravindhan S
    J Biomol Struct Dyn; 2020 Apr; 38(7):1903-1917. PubMed ID: 31099307
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Identification of a potential SARS-CoV2 inhibitor via molecular dynamics simulations and amino acid decomposition analysis.
    Razzaghi-Asl N; Ebadi A; Shahabipour S; Gholamin D
    J Biomol Struct Dyn; 2021 Oct; 39(17):6633-6648. PubMed ID: 32705953
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Multi-target approach for Alzheimer's disease treatment: computational biomolecular modeling of cholinesterase enzymes with a novel 4-
    Adeowo FY; Ejalonibu MA; Elrashedy AA; Lawal MM; Kumalo HM
    J Biomol Struct Dyn; 2021 Jul; 39(11):3825-3841. PubMed ID: 33030113
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Use of Diethanolamine as a Viscous Solvent for Mixture Analysis by Multidimensional Heteronuclear
    Leroy R; Pedinielli F; Bourbon G; Nuzillard JM; Lameiras P
    Anal Chem; 2022 Jul; 94(26):9278-9286. PubMed ID: 35737881
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Spectroscopic profiling, DFT computations, molecular docking and molecular dynamic simulation of biologically active 5-isoquinolinesulfonic acid.
    Saral A; Sudha P; Muthu S; Irfan A
    J Biomol Struct Dyn; 2023 Feb; 41(2):722-735. PubMed ID: 34882072
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Novel AChE and BChE inhibitors using combined virtual screening, text mining and in vitro binding assays.
    Sahin K; Zengin Kurt B; Sonmez F; Durdagi S
    J Biomol Struct Dyn; 2020 Jul; 38(11):3342-3358. PubMed ID: 31462153
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.