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 *

111 related articles for article (PubMed ID: 25863457)

  • 1. 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]  

  • 2. 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]  

  • 3. 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]  

  • 4. 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]  

  • 5. 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]  

  • 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. 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]  

  • 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. 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]  

  • 11. 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]  

  • 12. FT-IR, molecular structure, HOMO-LUMO, MEP, NBO analysis and first order hyperpolarizability of Methyl 4,4″-difluoro-5'-methoxy-1,1':3',1″-terphenyl-4'-carboxylate.
    Sheena Mary Y; Yohannan Panicker C; Narayana B; Samshuddin S; Sarojini BK; Van Alsenoy C
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Dec; 133():480-8. PubMed ID: 24973789
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. Infrared spectrum, NBO, HOMO-LUMO, MEP and molecular docking studies (2E)-3-(3-nitrophenyl)-1-[4-piperidin-1-yl]prop-2-en-1-one.
    Panicker CY; Varghese HT; Nayak PS; Narayana B; Sarojini BK; Fun HK; War JA; Srivastava SK; Van Alsenoy C
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Sep; 148():18-28. PubMed ID: 25863456
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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]  

  • 16. Vibrational spectroscopic (FT-IR and FT-Raman) studies, HOMO-LUMO, NBO analysis and MEP of 6-methyl-1-({[(2E)-2-methyl-3-phenyl-prop-2-en-1-yl]oxy}methyl)-1,2,3,4-tetra-hydroquinazoline-2,4-dione, a potential chemotherapeutic agent, using density functional methods.
    Sebastian SS; Al-Tamimi AM; El-Brollosy NR; El-Emam AA; Yohannan Panicker C; Van Alsenoy C
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jan; 134():316-25. PubMed ID: 25022504
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Theoretical investigations on the molecular structure, vibrational spectra, HOMO-LUMO and NBO analysis of 5-chloro-2-((4-chlorophenoxy)methyl)benzimidazole.
    Mary YS; Jojo PJ; Panicker CY; Van Alsenoy C; Ataei S; Yildiz I
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Mar; 122():499-511. PubMed ID: 24334013
    [TBL] [Abstract][Full Text] [Related]  

  • 18. 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]  

  • 19. Molecular structure, vibrational analysis (FT-IR, FT-Raman), NMR, UV, NBO and HOMO-LUMO analysis of N,N-Diphenyl Formamide based on DFT calculations.
    Mathammal R; Monisha NR; Yasaswini S; Krishnakumar V
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 139():521-32. PubMed ID: 25579654
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Molecular structure, FT-IR, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 2-(4-chlorophenyl)-2-oxoethyl 3-methylbenzoate by HF and density functional methods.
    Chidan Kumar CS; Panicker CY; Fun HK; Mary YS; Harikumar B; Chandraju S; Quah CK; Ooi CW
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jul; 128():327-36. PubMed ID: 24691363
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.