TY - JOUR AU - Barakat, A. AU - Soliman, S. M. AU - Ghabbour, H. A. AU - Ali, M. AU - Al-Majid, A. M. AU - Zarrouk, A. AU - Warad, I. PY - 2017 DA - 2017// TI - Intermolecular interactions in crystal structure, Hirshfeld surface, characterization, DFT and thermal analysis of 5-((5-bromo-1H-indol-3-yl) methylene)-1, 3-dimethylpyrimidine-2, 4, 6 (1H, 3H, 5H)-trione indole JO - J Mol Struct VL - 1137 UR - https://doi.org/10.1016/j.molstruc.2017.02.041 DO - 10.1016/j.molstruc.2017.02.041 ID - Barakat2017 ER - TY - JOUR AU - Serrano, J. L. AU - Cavalheiro, E. AU - Barroso, S. AU - Romão, M. J. AU - Silvestre, S. AU - Almeida, P. PY - 2017 DA - 2017// TI - A synthetic route to novel 3-substituted-2, 1-benzisoxazoles from 5-(2-nitrobenzylidene)(thio) barbiturates JO - C R Chim VL - 20 UR - https://doi.org/10.1016/j.crci.2017.10.002 DO - 10.1016/j.crci.2017.10.002 ID - Serrano2017 ER - TY - JOUR AU - Ziarani, G. M. AU - Aleali, F. AU - Lashgari, N. PY - 2016 DA - 2016// TI - Recent applications of barbituric acid in multicomponent reactions JO - RSC Adv VL - 6 UR - https://doi.org/10.1039/C6RA09874F DO - 10.1039/C6RA09874F ID - Ziarani2016 ER - TY - JOUR AU - Mahmudov, K. T. AU - Kopylovich, M. N. AU - Maharramov, A. M. AU - Kurbanova, M. M. AU - Gurbanov, A. V. AU - Pombeiro, A. J. PY - 2014 DA - 2014// TI - Barbituric acids as a useful tool for the construction of coordination and supramolecular compounds JO - Coord Chem Rev VL - 265 UR - https://doi.org/10.1016/j.ccr.2014.01.002 DO - 10.1016/j.ccr.2014.01.002 ID - Mahmudov2014 ER - TY - JOUR AU - Nikoofar, K. AU - Khademi, Z. PY - 2017 DA - 2017// TI - Barbituric acids in organic transformations, an outlook to the reaction media JO - Mini Rev Org Chem VL - 14 UR - https://doi.org/10.2174/1570193X14666170206122416 DO - 10.2174/1570193X14666170206122416 ID - Nikoofar2017 ER - TY - JOUR AU - Laxmi, S. V. AU - Reddy, Y. T. AU - Kuarm, B. S. AU - Reddy, P. N. AU - Crooks, P. A. AU - Rajitha, B. PY - 2011 DA - 2011// TI - Synthesis and evaluation of chromenyl barbiturates and thiobarbiturates as potential antitubercular agents JO - Bioorg Med Chem Lett VL - 21 UR - https://doi.org/10.1016/j.bmcl.2011.05.055 DO - 10.1016/j.bmcl.2011.05.055 ID - Laxmi2011 ER - TY - JOUR AU - Kenchappa, R. AU - Bodke, Y. D. AU - Asha, B. AU - Telkar, S. AU - Sindhe, M. A. PY - 2014 DA - 2014// TI - Synthesis, antimicrobial, and antioxidant activity of benzofuran barbitone and benzofuran thiobarbitone derivatives JO - Med Chem Res VL - 23 UR - https://doi.org/10.1007/s00044-013-0892-x DO - 10.1007/s00044-013-0892-x ID - Kenchappa2014 ER - TY - JOUR AU - Biradar, J. S. AU - Sasidhar, B. S. AU - Parveen, R. PY - 2010 DA - 2010// TI - Synthesis, antioxidant and DNA cleavage activities of novel indole derivatives JO - Eur J Med Chem VL - 45 UR - https://doi.org/10.1016/j.ejmech.2010.05.067 DO - 10.1016/j.ejmech.2010.05.067 ID - Biradar2010 ER - TY - JOUR AU - Dhorajiya, B. D. AU - Bhakhar, B. S. AU - Dholakiya, B. Z. PY - 2012 DA - 2012// TI - Synthesis, characterization, solvatochromic properties, and antimicrobial evaluation of 5-acetyl-2-thioxo-dihydro-pyrimidine-4, 6-dione-based chalcones JO - Med Chem Res VL - 22 UR - https://doi.org/10.1007/s00044-012-0395-1 DO - 10.1007/s00044-012-0395-1 ID - Dhorajiya2012 ER - TY - JOUR AU - Singh, P. AU - Kaur, M. AU - Design, V. e. r. m. a. P. PY - 2009 DA - 2009// TI - synthesis and anticancer activities of hybrids of indole and barbituric acids—identification of highly promising leads JO - Bioorg Med Chem Lett VL - 19 UR - https://doi.org/10.1016/j.bmcl.2009.04.014 DO - 10.1016/j.bmcl.2009.04.014 ID - Singh2009 ER - TY - JOUR AU - Radwan, M. A. AU - Ragab, E. A. AU - Sabry, N. M. AU - El-Shenawy, S. M. PY - 2007 DA - 2007// TI - Synthesis and biological evaluation of new 3-substituted indole derivatives as potential anti-inflammatory and analgesic agents JO - Bioorg Med Chem VL - 15 UR - https://doi.org/10.1016/j.bmc.2007.03.024 DO - 10.1016/j.bmc.2007.03.024 ID - Radwan2007 ER - TY - JOUR AU - Johnson, S. R. AU - Zheng, W. PY - 2006 DA - 2006// TI - Recent progress in the computational prediction of aqueous solubility and absorption JO - AAPS J VL - 8 UR - https://doi.org/10.1208/aapsj080104 DO - 10.1208/aapsj080104 ID - Johnson2006 ER - TY - JOUR AU - Ulrich, C. M. AU - Bigler, J. AU - Potter, J. D. PY - 2006 DA - 2006// TI - Non-steroidal anti-inflammatory drugs for cancer prevention: promise, perils and pharmacogenetics JO - Nat Rev Cancer VL - 6 UR - https://doi.org/10.1038/nrc1801 DO - 10.1038/nrc1801 ID - Ulrich2006 ER - TY - JOUR AU - Penthala, N. R. AU - Ponugoti, P. R. AU - Kasam, V. AU - Crooks, P. A. PY - 2013 DA - 2013// TI - 5-((1-Aroyl-1H-indol-3-yl) methylene)-2-thioxodihydropyrimidine-4, 6 (1H, 5H)-diones as potential anticancer agents with anti-inflammatory properties JO - Bioorg Med Chem Lett VL - 23 UR - https://doi.org/10.1016/j.bmcl.2012.12.053 DO - 10.1016/j.bmcl.2012.12.053 ID - Penthala2013 ER - TY - JOUR AU - Figueiredo, J. AU - Serrano, J. L. AU - Cavalheiro, E. AU - Keurulainen, L. AU - Yli-Kauhaluoma, J. AU - Moreira, V. M. AU - Ferreira, S. AU - Domingues, F. C. AU - Silvestre, S. AU - Almeida, P. PY - 2018 DA - 2018// TI - Trisubstituted barbiturates and thiobarbiturates: synthesis and biological evaluation as xanthine oxidase inhibitors, antioxidants, antibacterial and anti-proliferative agents JO - Eur J Med Chem VL - 143 UR - https://doi.org/10.1016/j.ejmech.2017.11.070 DO - 10.1016/j.ejmech.2017.11.070 ID - Figueiredo2018 ER - TY - JOUR AU - Harriman, G. C. AU - Brewer, M. AU - Bennett, R. AU - Kuhn, C. AU - Bazin, M. AU - Larosa, G. AU - Skerker, P. AU - Cochran, N. AU - Gallant, D. AU - Baxter, D. AU - Picarella, D. PY - 2008 DA - 2008// TI - Selective cell adhesion inhibitors: barbituric acid based α4β7—MAdCAM inhibitors JO - Bioorg Med Chem Lett VL - 18 UR - https://doi.org/10.1016/j.bmcl.2007.07.068 DO - 10.1016/j.bmcl.2007.07.068 ID - Harriman2008 ER - TY - JOUR AU - Wang, J. AU - Radomski, M. W. AU - Medina, C. AU - Gilmer, J. F. PY - 2013 DA - 2013// TI - MMP inhibition by barbiturate homodimers JO - Bioorg Med Chem Lett VL - 23 UR - https://doi.org/10.1016/j.bmcl.2012.11.063 DO - 10.1016/j.bmcl.2012.11.063 ID - Wang2013 ER - TY - JOUR AU - Bella, S. AU - Fragalà, I. AU - Ledoux, I. AU - Diaz-Garcia, M. A. AU - Marks, T. J. PY - 1997 DA - 1997// TI - Synthesis, characterization, optical spectroscopic, electronic structure, and second-order nonlinear optical (NLO) properties of a novel class of donor–acceptor bis (salicylaldiminato) nickel (II) Schiff base NLO chromophores JO - J Am Chem Soc VL - 119 UR - https://doi.org/10.1021/ja971349y DO - 10.1021/ja971349y ID - Bella1997 ER - TY - JOUR AU - Lacroix, P. G. PY - 2001 DA - 2001// TI - Second-order optical nonlinearities in coordination chemistry: the case of bis (salicylaldiminato) metal Schiff base complexes JO - Eur J Inorg Chem VL - 2 UR - https://doi.org/3.0.CO;2-Z DO - 3.0.CO;2-Z ID - Lacroix2001 ER - TY - JOUR AU - Spek, A. L. PY - 2009 DA - 2009// TI - Structure validation in chemical crystallography JO - Acta Cryst VL - 65 ID - Spek2009 ER - TY - JOUR AU - Barakat, A. AU - Islam, M. S. AU - Al-Majid, A. M. AU - Ghabbour, H. A. AU - Atef, S. AU - Zarrouk, A. AU - Warad, I. PY - 2018 DA - 2018// TI - Quantum chemical insight into the molecular structure of l-chemosensor 1, 3-dimethyl-5-(thien-2-ylmethylene)-pyrimidine-2, 4, 6-(1 H, 3 H, 5 H)-trione: naked-eye colorimetric detection of copper (II) anions JO - J Theor Comp Chem VL - 17 UR - https://doi.org/10.1142/S0219633618500050 DO - 10.1142/S0219633618500050 ID - Barakat2018 ER - TY - JOUR AU - Warad, I. AU - Barakat, A. PY - 2017 DA - 2017// TI - Synthesis, physicochemical analysis of two new hemilabile ether-phosphine ligands and their first stable bis-ether-phosphine/cobalt (II) tetrahedral complexes JO - J Mol Struct VL - 1134 UR - https://doi.org/10.1016/j.molstruc.2016.12.023 DO - 10.1016/j.molstruc.2016.12.023 ID - Warad2017 ER - TY - JOUR AU - Asadi, Z. AU - Esrafili, M. D. AU - Vessally, E. AU - Asnaashariisfahani, M. AU - Yahyaei, S. AU - Khani, A. PY - 2017 DA - 2017// TI - A structural study of fentanyl by DFT calculations, NMR and IR spectroscopy JO - J Mol Struct VL - 1128 UR - https://doi.org/10.1016/j.molstruc.2016.09.027 DO - 10.1016/j.molstruc.2016.09.027 ID - Asadi2017 ER - TY - JOUR AU - Tarı, G. Ö. AU - Ceylan, Ü. AU - Uzun, S. AU - Ağar, E. AU - Büyükgüngör, O. PY - 2018 DA - 2018// TI - Synthesis, spectroscopic (FT-IR, UV–Vis), experimental (X-Ray) and theoretical (HF/DFT) study of:(E)-2-Chloro-N-((4-nitrocyclopenta-1, 3-dienyl) methylene) benzenamine JO - J Mol Struct VL - 1156 UR - https://doi.org/10.1016/j.molstruc.2017.11.077 DO - 10.1016/j.molstruc.2017.11.077 ID - Tarı2018 ER - TY - JOUR AU - Ahmed, N. H. AU - Yasin, K. h. AU - Ayub, K. h. AU - Mahmood, T. AU - Tahir, N. M. AU - Khan, A. B. AU - Hafeez, M. AU - Ahmed, M. AU - Ul-Haq, I. PY - 2016 DA - 2016// TI - Click one pot synthesis, spectral analyses, crystal structures, DFT studies and brine shrimp cytotoxicity assay of two newly synthesized, 4,5-trisubstituted 1,2,3-triazoles JO - J Mol Struct VL - 1106 UR - https://doi.org/10.1016/j.molstruc.2015.11.010 DO - 10.1016/j.molstruc.2015.11.010 ID - Ahmed2016 ER - TY - JOUR AU - Sherzaman, S. AU - Rehman, S. AU - Ahmed, M. AU - Khan, B. AU - Mahmood, T. AU - Ayub, K. h. AU - Tahir, M. PY - 2017 DA - 2017// TI - Thiobiuret based Ni(II) and Co(III) complexes: synthesis, molecular structures and DFT studies JO - J Mol Struct VL - 1148 UR - https://doi.org/10.1016/j.molstruc.2017.07.054 DO - 10.1016/j.molstruc.2017.07.054 ID - Sherzaman2017 ER - TY - JOUR AU - Ahmed, M. AU - Yasin, K. h. AU - Khan, R. AU - Mahmood, T. AU - Ayub, K. h. AU - Malik, D. AU - Hafeez, M. AU - Khan, A. AU - Tahir, M. PY - 2017 DA - 2017// TI - Synthesis, crystal structure, spectral analysis, DFT studies and antimicrobial activity of ethyl 6-(4-(ethoxycarbonyl)-1H-1,2,3-triazol-1-yl)pyridine-3-carboxylate JO - J Chem Soc Pak VL - 39 ID - Ahmed2017 ER - TY - JOUR AU - Thorat, K. G. AU - Sekar, N. PY - 2017 DA - 2017// TI - Pyrrole-thiazole based push-pull chromophores: an experimental and theoretical approach to structural, spectroscopic and NLO properties of the novel styryl dyes JO - J Photochem Photobiol A Chem VL - 333 UR - https://doi.org/10.1016/j.jphotochem.2016.10.009 DO - 10.1016/j.jphotochem.2016.10.009 ID - Thorat2017 ER - TY - BOOK AU - Wolff, S. K. AU - Grimwood, D. J. AU - McKinnon, J. J. AU - Jayatilaka, D. AU - Spackman, M. A. PY - 2007 DA - 2007// TI - Crystal explorer 2.1 PB - University of Western Australia CY - Perth ID - Wolff2007 ER - TY - STD TI - Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA et al (2010) Gaussian 09, Revision B.01, Gaussian, Inc., Wallingford ID - ref30 ER - TY - JOUR AU - Mahmood, T. AU - Kosar, N. AU - Ayub, K. PY - 2017 DA - 2017// TI - DFT study of acceleration of electrocyclization in photochromes under radical cationic conditions: comparison with recent experimental data JO - Tetrahedron VL - 73 UR - https://doi.org/10.1016/j.tet.2017.05.031 DO - 10.1016/j.tet.2017.05.031 ID - Mahmood2017 ER -