BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

285 related articles for article (PubMed ID: 32711354)

  • 1. Spectroscopic elucidation (FT-IR, FT-Raman and UV-visible) with NBO, NLO, ELF, LOL, drug likeness and molecular docking analysis on 1-(2-ethylsulfonylethyl)-2-methyl-5-nitro-imidazole: An antiprotozoal agent.
    Manjusha P; Prasana JC; Muthu S; Rizwana BF
    Comput Biol Chem; 2020 Oct; 88():107330. PubMed ID: 32711354
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Computational evaluation of the reactivity and pharmaceutical potential of an organic amine: A DFT, molecular dynamics simulations and molecular docking approach.
    Abraham CS; Muthu S; Prasana JC; Armaković S; Armaković SJ; Rizwana B F; Geoffrey B; David R HA
    Spectrochim Acta A Mol Biomol Spectrosc; 2019 Nov; 222():117188. PubMed ID: 31176999
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Quantum mechanical, spectroscopic and docking studies of 2-Amino-3-bromo-5-nitropyridine by Density Functional Method.
    Abraham CS; Prasana JC; Muthu S
    Spectrochim Acta A Mol Biomol Spectrosc; 2017 Jun; 181():153-163. PubMed ID: 28359904
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Quantum mechanical study and spectroscopic (FT-IR, FT-Raman, UV-Visible) study, potential energy surface scan, Fukui function analysis and HOMO-LUMO analysis of 3-tert-butyl-4-methoxyphenol by DFT methods.
    Saravanan S; Balachandran V
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep; 130():604-20. PubMed ID: 24813291
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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]  

  • 6. Spectroscopic characterization, DFT studies, molecular docking and cytotoxic evaluation of 4-nitro-indole-3-carboxaldehyde: A potent lung cancer agent.
    Christopher Jeyaseelan S; Milton Franklin Benial A
    J Mol Recognit; 2021 Jan; 34(1):e2872. PubMed ID: 32815220
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Conformational stability, spectroscopic (FT-IR, FT-Raman and UV-Vis) analysis, NLO, NBO, FMO and Fukui function analysis of 4-hexylacetophenone by density functional theory.
    Saravanan S; Balachandran V
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 138():406-23. PubMed ID: 25528503
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Quantum mechanical and spectroscopic (FT-IR, FT-Raman) study, NBO analysis, HOMO-LUMO, first order hyperpolarizability and molecular docking study of methyl[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]amine by density functional method.
    Kuruvilla TK; Prasana JC; Muthu S; George J; Mathew SA
    Spectrochim Acta A Mol Biomol Spectrosc; 2018 Jan; 188():382-393. PubMed ID: 28756257
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Molecular docking, spectroscopic studies on 4-[2-(Dipropylamino) ethyl]-1,3-dihydro-2H-indol-2-one and QSAR study of a group of dopamine agonists by density functional method.
    Kuruvilla TK; Muthu S; Prasana JC; George J; Sara Saji R; Geoffrey B; Host Antony David R
    Spectrochim Acta A Mol Biomol Spectrosc; 2019 Nov; 222():117185. PubMed ID: 31177005
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Spectroscopic (FT-IR, FT-Raman, and UV-visible) and quantum chemical studies on molecular geometry, Frontier molecular orbitals, NBO, NLO and thermodynamic properties of 1-acetylindole.
    Shukla VK; Al-Abdullah ES; El-Emam AA; Sachan AK; Pathak SK; Kumar A; Prasad O; Bishnoi A; Sinha L
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Dec; 133():626-38. PubMed ID: 24996206
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Tuning the Computational Evaluation of Spectroscopic, ELF, LOL, NCI analysis and Molecular Docking of Novel Anti COVID-19 Molecule 4-Dimethylamino Pyridinium 3, 5-Dichlorosalicylate.
    Tarika JDD; Dexlin XDD; Madhankumar S; Jayanthi DD; Beaula TJ
    Spectrochim Acta A Mol Biomol Spectrosc; 2021 Oct; 259():119907. PubMed ID: 33989977
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Experimental (FT-IR, FT-Raman, UV and NMR) and quantum chemical studies on molecular structure, spectroscopic analysis, NLO, NBO and reactivity descriptors of 3,5-Difluoroaniline.
    Pathak SK; Srivastava R; Sachan AK; Prasad O; Sinha L; Asiri AM; Karabacak M
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jan; 135():283-95. PubMed ID: 25078461
    [TBL] [Abstract][Full Text] [Related]  

  • 13. An experimental and theoretical investigation of Acenaphthene-5-boronic acid: conformational study, NBO and NLO analysis, molecular structure and FT-IR, FT-Raman, NMR and UV spectra.
    Karabacak M; Sinha L; Prasad O; Asiri AM; Cinar M
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov; 115():753-66. PubMed ID: 23892116
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Spectroscopic and quantum computational study on naproxen sodium.
    Saji RS; Prasana JC; Muthu S; George J; Kuruvilla TK; Raajaraman BR
    Spectrochim Acta A Mol Biomol Spectrosc; 2020 Feb; 226():117614. PubMed ID: 31606674
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Spectroscopic investigation (FT-IR and FT-Raman), vibrational assignments, HOMO-LUMO, NBO, MEP analysis and molecular docking study of 2-(4-hydroxyphenyl)-4,5-dimethyl-1H-imidazole 3-oxide.
    Benzon KB; Varghese HT; Panicker CY; Pradhan K; Tiwary BK; Nanda AK; Van Alsenoy C
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jul; 146():307-22. PubMed ID: 25819320
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Experimental and theoretical (FT-IR, FT-Raman, UV-vis, NMR) spectroscopic analysis and first order hyperpolarizability studies of non-linear optical material: (2E)-3-[4-(methylsulfanyl) phenyl]-1-(4-nitrophenyl) prop-2-en-1-one using density functional theory.
    Kumar A; Deval V; Tandon P; Gupta A; Deepak D'silva E
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep; 130():41-53. PubMed ID: 24762572
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Quantum mechanical study of the structure and spectroscopic (FTIR, FT-Raman), first-order hyperpolarizability and NBO analysis of 1,2-benzoxazol-3-ylmenthane sulfonamide.
    Muthu S; Ramachandran G; Isac Paulraj E; Swaminathan T
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jul; 128():603-13. PubMed ID: 24691375
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Molecular structure, vibrational spectra, natural bond orbital and thermodynamic analysis of 3,6-dichloro-4-methylpyridazine and 3,6-dichloropyridazine-4-carboxylic acid by dft approach.
    Prabavathi N; Senthil Nayaki N; Venkatram Reddy B
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 136 Pt B():1134-48. PubMed ID: 25459510
    [TBL] [Abstract][Full Text] [Related]  

  • 19. FTIR, FT-RAMAN, NMR, spectra, normal co-ordinate analysis, NBO, NLO and DFT calculation of N,N-diethyl-4-methylpiperazine-1-carboxamide molecule.
    Muthu S; Elamurugu Porchelvi E
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov; 115():275-86. PubMed ID: 23845985
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Synthesis, spectroscopic (FT-IR, FT-Raman, NMR & UV-Vis), reactive (ELF, LOL, Fukui), drug likeness and molecular docking insights on novel 4-[3-(3-methoxy-phenyl)-3-oxo-propenyl]-benzonitrile by experimental and computational methods.
    Radder SB; Melavanki R; Hiremath SM; Kusanur R; Khemalapure SS; Jeyaseelan SC
    Heliyon; 2021 Nov; 7(11):e08429. PubMed ID: 34877424
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 15.