BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

138 related articles for article (PubMed ID: 25528512)

  • 1. Infrared spectrum, structural and optical properties and molecular docking study of 3-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbaldehyde.
    Mary YS; Panicker CY; Sapnakumari M; Narayana B; Sarojini BK; Al-Saadi AA; Van Alsenoy C; War JA; Fun HK
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 138():529-38. PubMed ID: 25528512
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Molecular structure, FT-IR, vibrational assignments, HOMO-LUMO analysis and molecular docking study of 1-[5-(4-Bromophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone.
    Mary YS; Panicker CY; Sapnakumari M; Narayana B; Sarojini BK; Al-Saadi AA; Van Alsenoy C; War JA; Fun HK
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 136 Pt B():473-82. PubMed ID: 25448948
    [TBL] [Abstract][Full Text] [Related]  

  • 3. FT-IR, NBO, HOMO-LUMO, MEP analysis and molecular docking study of 1-[3-(4-Fluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethanone.
    Mary YS; Panicker CY; Sapnakumari M; Narayana B; Sarojini BK; Al-Saadi AA; Van Alsenoy C; War JA
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 136 Pt B():483-93. PubMed ID: 25448949
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Spectroscopic investigation (FT-IR and FT-Raman), vibrational assignments, HOMO-LUMO, NBO, MEP analysis and molecular docking study of 2-[(4-chlorobenzyl)sulfanyl]-4-(2-methylpropyl)-6-(phenylsulfanyl)-pyrimidine-5-carbonitrile, a potential chemotherapeutic agent.
    Alzoman NZ; Mary YS; Panicker CY; Al-Swaidan IA; El-Emam AA; Al-Deeb OA; Al-Saadi AA; Van Alsenoy C; War JA
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 139():413-24. PubMed ID: 25576938
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Vibrational spectroscopic studies and molecular docking of 10,10-Dimethylanthrone.
    Sheena Mary Y; Yamuna TS; Panicker CY; Yathirajan HS; Siddegowda MS; Al-Saadi AA; Van Alsenoy C; War JA
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jan; 135():652-61. PubMed ID: 25128678
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Synthesis, structural and vibrational investigation on 2-phenyl-N-(pyrazin-2-yl)acetamide combining XRD diffraction, FT-IR and NMR spectroscopies with DFT calculations.
    Lukose J; Yohannan Panicker C; Nayak PS; Narayana B; Sarojini BK; Van Alsenoy C; Al-Saadi AA
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jan; 135():608-16. PubMed ID: 25124846
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Vibrational spectra, HOMO, LUMO, NBO, MEP analysis and molecular docking study of 2,2-diphenyl-4-(piperidin-1-yl)butanamide.
    Mary YS; Varghese HT; Panicker CY; Girisha M; Sagar BK; Yathirajan HS; Al-Saadi AA; Van Alsenoy C
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Nov; 150():543-56. PubMed ID: 26079512
    [TBL] [Abstract][Full Text] [Related]  

  • 8. FT-IR, NBO, HOMO-LUMO, MEP analysis and molecular docking study of Methyl N-({[2-(2-methoxyacetamido)-4-(phenylsulfanyl)phenyl]amino}[(methoxycarbonyl) imino]methyl)carbamate.
    Panicker CY; Varghese HT; Narayana B; Divya K; Sarojini BK; War JA; Van Alsenoy C; Fun HK
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Sep; 148():29-42. PubMed ID: 25863457
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Molecular conformational analysis, vibrational spectra, NBO, NLO, HOMO-LUMO and molecular docking studies of ethyl 3-(E)-(anthracen-9-yl)prop-2-enoate based on density functional theory calculations.
    Mary YS; Varghese HT; Panicker CY; Thiemann T; Al-Saadi AA; Popoola SA; Van Alsenoy C; Al Jasem Y
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Nov; 150():533-42. PubMed ID: 26079511
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Molecular structure, FT-IR, vibrational assignments, HOMO-LUMO, MEP, NBO analysis and molecular docking study of ethyl-6-(4-chlorophenyl)-4-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate.
    Sheena Mary Y; Yohannan Panicker C; Sapnakumari M; Narayana B; Sarojini BK; Al-Saadi AA; Van Alsenoy C; War JA
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 138():73-84. PubMed ID: 25463053
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Molecular structure, FT-IR, NBO, HOMO and LUMO, MEP and first order hyperpolarizability of (2E)-1-(2,4-Dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one by HF and density functional methods.
    Sheena Mary Y; Yohannan Panicker C; Anto PL; Sapnakumari M; Narayana B; Sarojini BK
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jan; 135():81-92. PubMed ID: 25062053
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Spectroscopic investigation (FT-IR and FT-Raman), vibrational assignments, HOMO-LUMO analysis and molecular docking study of 2-(Adamantan-1-yl)-5-(4-nitrophenyl)-1,3,4-oxadiazole.
    Haress NG; Al-Omary F; El-Emam AA; Mary YS; Panicker CY; Al-Saadi AA; War JA; Van Alsenoy C
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jan; 135():973-83. PubMed ID: 25168235
    [TBL] [Abstract][Full Text] [Related]  

  • 13. FT-IR, HOMO-LUMO, NBO, MEP analysis and molecular docking study of 3-Methyl-4-{(E)-[4-(methylsulfanyl)-benzylidene]amino}1H-1,2,4-triazole-5(4H)-thione.
    Panicker CY; Varghese HT; Manjula PS; Sarojini BK; Narayana B; War JA; Srivastava SK; Van Alsenoy C; Al-Saadi AA
    Spectrochim Acta A Mol Biomol Spectrosc; 2015; 151():198-207. PubMed ID: 26142174
    [TBL] [Abstract][Full Text] [Related]  

  • 14. FT-IR, FT-Raman, molecular structure, first order hyperpolarizability, HOMO and LUMO analysis, MEP and NBO analysis of 3-(adamantan-1-yl)-4-(prop-2-en-1-yl)-1H-1,2,4-triazole-5(4H)-thione, a potential bioactive agent.
    Rosline Sebastian SH; Attia MI; Almutairi MS; El-Emam AA; Panicker CY; Van Alsenoy C
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov; 132():295-304. PubMed ID: 24878436
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Vibrational spectroscopic studies and molecular docking study of 2-[(E)-2-phenylethenyl]quinoline-5-carboxylic acid.
    Ulahannan RT; Panicker CY; Varghese HT; Musiol R; Jampilek J; Van Alsenoy C; War JA; Manojkumar TK
    Spectrochim Acta A Mol Biomol Spectrosc; 2015; 150():190-9. PubMed ID: 26046498
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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]  

  • 17. Studies of the molecular geometry, vibrational spectra, frontier molecular orbital, nonlinear optical and thermodynamics properties of aceclofenac by quantum chemical calculations.
    Suresh S; Gunasekaran S; Srinivasan S
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 May; 125():239-51. PubMed ID: 24556133
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Vibrational spectra and normal coordinate analysis of 2-hydroxy-3-(2-methoxyphenoxy) propyl carbamate.
    Muthu S; Renuga S
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov; 132():313-25. PubMed ID: 24878438
    [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. 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]  

    [Next]    [New Search]
    of 7.