Quantitative Structure- Property Relationship(QSPR) Study of 2-Phenylindole derivatives as Anticancer Drugs Using Molecular Descriptors
Subject Areas : Journal of Physical & Theoretical Chemistry
samira Bahrami
1
,
fatemeh shafiei
2
,
Azam Marjani
3
,
Tahereh Momeni Isfahani
4
1 - Department of Chemistry, Arak Branch, Islamic Azad University, Arak, Iran
2 - Department of Chemistry, Arak Branch, Islamic Azad University, Arak, Iran
3 - Department of Chemistry, Arak Branch, Islamic Azad University, Arak, Iran
4 - Department of Chemistry, Arak Branch, Islamic Azad University, Arak, Iran
Keywords:
Abstract :
E. N. Muratov, J.ajorath, R. P. Sheridan, I. V. Tetko, D. Filimonov, V. Poroikov, T.I. Oprea, I. I. Baskin, A. Varnek, Chem. Soc. Rev., 49 (2020) 3716.
N.Ahmadinejad, F. Shafiei, T. Momeni Isfahani, Comb. Chem. High Throughput Screen. 21 (2018) 533.
E. Pourbasheer, R. Aalizadeh, M.R. Ganjali, P. Norouzi, Med. Chem. Res. 23 (2014) 57.
D. E. Arthur, A. Uzairu, P. Mamza, E. Abechi, G. Shallangwa, Albanian . J. Pharm .Sci .3(2016)4.
D. Joudaki, F. Shafiei, Curr. Comput- Aided. Drug Des. 16 (2020) 571.
R. Todeschini, V. Consonni, Handbook of Molecular Descriptors; Wiley-VCH: Weinheim, 2000.
V. Kamath, A. Pai, J. Pharm. and Tech. 10 (2017) 3237.
K. Vorčáková, M. Májeková, E. Horáková, P. Drabina, M. Sedlák, Š. Štěpánková, Bioorg. Chem.78(2018) 280.
J. Verma, V. M. Khedkar, E. C. Coutinho, Curr. Top. Med. Chem. 10 (2010) 95.
H. Kubinyi, G. Folkers, Y. C. Martin, 3D-QSAR in Drug Design: Volume 3: Recent Advances, Kluwer Academic Publishers. New York, 2002.
S. S. El-Nakkady, M. M. Hanna, H. M. Roaiah, I. A. Ghannam, Eur. J. Med. Chem. 47 (2012) 387.
R. Gaikwad, S.A. Amin, N. Adhikari, S. Ghorai, T. Jha, S. Gayen, Struct. Chem.29(2018) 1095.
A.A.Toropovand, A.P. Toropova, Anticancer. Res. 38 (2018) 6189.
S. Y. Liao, L. Qian, T.F. Miao, H. L. Lu, K. C. Zheng, Eur. J. Med. Chem. 44 (2009) 2822.
A. K. Halder, N. Adhikari, T. Jha, Bioorganic Med. Chem. Lett. 19 (2009) 1737.
S. C. Basak, Q. Zhu, D. Mills, Curr. Comput. Aided. Drug Des. 7 (2011) 98.
M. N. Aldosari, K. K. Yalamanchi, X. Gao, S. Mani Sarathy, Energy and AI. 4 (2021) 100054.
D. Jaramillo, G. Plascencia, Basic Thermochemistry in Materials Processing. Springer International Publishing, 1st, 2017.
J. P. Lowe, K. A. Peterson, Quantum chemistry third edition. 3rd ed. Elsevier, 2006.
P. Sullivan, G. Seidel, Phys. Rev. 173(1968) 679.
K.T. Butler, D.W. Davies, H. Cartwright, O. Isayev, A. Walsh. Nature. 1 (2018) 547.
[22] K. K. Yalamanchi, V. C. O. Van Oudenhoven, F. Tutino, M. Monge-Palacios, A. Al- shehri, X. Gao, S.M. Sarathy, J. Phys. Chem. A.,123(2019) 8305.
[23] C. C. J. Roothaan, Rev. Mod. Phys. 23 (1951) 69.
J. S. Binkley, J. A. Pople, W. J. Hehre, J. Am. Chem. Soc. 102 (1980) 939.
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. A. Pople, Gaussian, Inc., Wallingford CT, 2009.
Talete srl, Dragon (ver. 5.4), Milano, Italy. Web site: www.talete.mi.it/products/software.htm
I. Dohoo, C. Ducrot, C. Fourichon, A. Donald, D. Hurnik, Prev. Vet. Med. 29 (1997) 221.
S. J. Cho, M. A. Hermsmeier, J. Chem. Inf. Comput. Sci. 42 (2002) 927.
K. H. Baumann, H. Albert M. V. Korff, J. Chemometr. 16 (2002) 339.
P. Gramatica, P. Pilutti, E. Papa, SAR. QSAR. Environ. Res. 13 (2002) 743.
M. V. Diudea, QSPR/QSAR studies for molecular descriptors, Ed Nova Science Hunting don, New York. 2000.
A. Golbraikh, A. Tropsha, J. Mol. Graph. Model. 20 (2002) 269.
N. R. Hateka, Tests for Detecting Autocorrelation. Principles of Econometrics: An Introduction (Using R). SAGE Publications, 2010.
R. Benigni , C. Bossa, J. Chem. Inf. Model.48(2008) 971.
T. A. Craney, J. G. Surles, Qual. Eng. 14 (2002) 391.
D. G. Kleinbaum, Applied regression analysis and other multivariable methods; Australia, Belmont, CA: Brooks/Cole, 2008.
A. Fisher, Statistical Methods for Research Workers; Oliver and Boyd: Edinburgh, UK, 1925.
B. Reisfeld, A. N. Mayeno, Computational Toxicology: Volume 21, On the Development and Validation of QSAR Models, Springer: Science+Business Media, LLC, 2013.
S. Chatterjee, J. Simonoff, Handbook of Regression Analysis. John Wiley & Sons: New York, 2013.
M. Zhao, D. Wei, Exploring the ligand-protein networks in traditional Chinese medicine: current databases, methods and applications. In Advance in Structural Bioinformatics, Springer, Dordrecht, 2015.
G. C. Siontis, I. Tzoulaki, P. J. Castaldi, J. P. Ioannidis, J. P. J. Clin. Epidemiol. 68 (2015) 25.
F. K. Martens, J. G. Kers, A. C. Janssens, J. Clin. Epidemiol. 68 (2015) 25.
Y. Dodge, The Concise Encyclopedia of Statistics. Springer, 2008.
D. G. Kleinbaum, Applied regression analysis and other multivariable methods, Australia; Belmont, CA: Brooks/Cole, 2008.
V. Consonni, R. Todeschini, M. Pavan, P. Gramatica, J. Chem. Inform. Comput. Sci. 42 (2002) 693.
S. Sahoo, C. Adhikari, M. Kuanar, B.K. Mishra, Curr. Comput- Aided. Drug Des. 12 (2016) 181.
A. T. Balaban, From Chemical Topology to Three-Dimensional Geometry, A. T. Balaban (Ed.), Plenum Press, New York (NY), 1997.
B. Hu, Z. Kun Kuang , S. Y. Feng, D. Wang, S. B. He, D. Xin Kong, Molecules. 21 (2016) 1554.
J. Verma, V. M. Khedkar, E. C. Coutinho, Curr. Topics Med. Chem. 10 (2010) 95.
E. Estrada, I. Perdomo-López, J. J. Torres-Labandeira. J. Chem. Inform. Comput. Sci. 41 (2001) 1561.
A. Rybi ´nska-Fryca, A. Sosnowska, T. Puzyn, Materials. 13(2020) 2500.
N. Ahmadinejad, Shafiei, Comb. Chem. High. Throughput. Screen. 22 (2019) 387.
F. Ghaemdoost, F. Shafiei, Curr. Comput- Aided. Drug. Des. 6 (2020) 25.
H. Kušić, B. Rasulev, D. Leszczynska, J. Leszczynski, N. Koprivanac, Chemosphere. 75 (2009) 1128.
J. Schuur, J. Gasteiger, Anal. Chem. 69 (1997) 2398.
L. Saíz-Urra, Y. Pérez-Castillo, M. Pérez González, R. Molina Ruiz, M. Cordeiro,J.E.Rodríguez-Borges, X. García-Mera, QSAR & Comb. Sci. 28 (2009) 98.
L. Saíz-Urra, M. P. González, M. Teijeira, Biorg. Med. Chem. 14 (2006) 7347.
P. R. Duchowicz, M. G. Vitale, E. A. Castro, M. Fernández, J. Caballero, Biorg. Med. Chem. 15 (2007) 2680.
Z. Cheng, Y. Zhang, W. Fu, Eur. J. Med. Chem. 45 (2010) 3970.
