Monte Carlo and QSAR Study on Biological Activity of Several Platinum (IV) Anti Cancer Drugs
Subject Areas :
Journal of Physical & Theoretical Chemistry
robabeh sayyadikordabadi
1
,
Abdollah Fallah Shojaei
2
,
Asghar Alizadehdakhel
3
,
leila mohammadinargesi
4
,
Ghasem Ghasemi
5
1 - Depatment of Chemistry and Chemical Engineering, Rasht Branch, Islamic Azad University, Rasht, Iran
2 - Depatment of Chemistry and Chemical Engineering, Rasht Branch, Islamic Azad University, Rasht, Iran
3 - Depatment of Chemistry and Chemical Engineering, Rasht Branch, Islamic Azad University, Rasht, Iran
4 - Department of Chemistry, Faculty of Sciences, University of Guilan, P.O.BOX 1914, Rasht, Iran
5 - Depatment of Chemistry and Chemical Engineering, Rasht Branch, Islamic Azad University, Rasht, Iran
Received: 2021-02-09
Accepted : 2021-09-26
Published : 2021-03-01
Keywords:
داروهای ضد سرطان پلاتین (IV),
روش مونت کارلو,
الگوریتم ژنتیک,
QSAR,
References:
L.R. Kelland, Nature Rev., 7 (2007); 573-584.
R. Dolman, T.W. Hambley, G.B. Deacon., J. Inorg. Biochem. 88 (2002); 260-267.
H. R. Mellor, S. Snelling, M. D. Hall, S. Modok, M. JaVar, T.W.Hambley, R. Callaghan, Biochem. Pharmacol. 70 (2005); 1137-1146.
R. Sayyadi kord Abadi, A. Alizadehdakhel and S. Tajadodi Paskiabei, J. Korean Chem. Soc. 60 (2016); 225.
R. Sayyadi kord Abadi, A. Alizadehdakhel, S. Dorani Shiraz, Russ. J. Physic. Chem. B, 11 (2017; 307.
V.O.Černý., J. Optimiz. Theory. App. 45(1985); 41-51.
L.M. Schmitt., Theor. Comput. Sci., 259(2001); 1-61.
D. Bertsimas, J. Tsitsiklis, Statistical Science, 8(1983); 10-15.
N.A. Meanwell , O.B. Wallace, H. Fang., H. Wang, M.Deshpande, T. Wang,Z. Yin., L. Zadjura, D.L.Tweedie, S.Yeola, F. Zhao, S.Ranadive, B.A. Robinson , Y.F.Gong, H.G. Wang , T.P. Spicer, W.S. Blair, P.Y. Shi., R.J. Colonno.P.F. Lin., Bioorg. Med. Chem. Lett. 19 (2009); 1977-1981.
Toropova, A.P.; Toropov, A. A; Benfenati, E.; Gini, G.; Leszczynska, D.; Leszczynski, J. J. Comput. Chem, 32 (2011); 2727.
E. B. DeMelo, M .M. Ferreira., Eur, J.Med.Chem. 44 (2009); 3577-3583.
M. J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr.J.E. Peralta, F. Ogliaro, M. Bearpark, J. J Heyd, E. Brothers, K.N. Kudin, V.N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J.C. Burant, S.S Iyengar, J. Tomasi, M. Cossi, N. Rega, J.M. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, R.L. Martin, K. Morokuma, V.G. Zakrzewski, G.A. Voth, P. Salvador, J. Dannenberg, S. Dapprich, A.D. Daniels, Ö. Farkas,.; J. B. ForesmanJ.V. Ortiz, J. Cioslowski, D. J. Fox, Gaussian 09 (Gaussian, Inc., Wallingford CT, 2009).
https://gaussian.com/glossary/g09/
Dragon 3.0 Evaluation Version. Available online: http://www.disat.unimib.it/chm
R. Todeschini, Milano chemometrics, QSAR Group, http://www.disat.unimib.it/chem.
R. Todeschini, V. Consonni, Handbook of Molecular Descriptors (Wiley-VCH), 2000.
A. M. Veselinović, A. A. Toropov, A. P. Toropova, I. Damnjanović, G. M. Nikolić, Scientific Journal of the Faculty of Medicine in Niš, 31(2014);95-103.
V.Consonni, R.Todeschini, M. Pavan. P, Gramatica., J. Chem. Inf. Comput .Sci. 2002, 42, 693-705.
P.Gramatica, V. Consonni. R. Todeschini, Chemosphere, 41(2000); 63-777.
SPSS, Version 19, available at http://www.spssscience.com, (2010).
M.H. Fatemi, S. Gharaghani, Bioorg. Med. Chem. 15(2007); 7746-7754.
N. Kenneth, J.Am. Stat. Assoc, 72 (1997); 865-866.
M. Jalali-Heravi, M.F. Parastar, J. Chem. Inf. Comput. Sci. 40 (2000); 147.
Y-L. Xie, J.-H. Kaliva, Analytica Chemica Acta, 348 (1997); 19-27
L.M. Schmitt, Theor. Comput. Sci., 259 (2001);1-61.
(http://www.insilico.eu/coral)
S. H. Sadat Hayatshahi, P. Abdolmaleki, M. Ghiasi, S. Safarian, FEBS Lett 581 (2007); 506-514.
H. Varbanov; etal, Eur. J. Med. Chem. 46 (2011); 5456-5464.
T. Asadollahi, S. Dadfarnia, A.M. Haji Shabani, J.B. Ghasemi. MATCH Commun. Math. Comput. Chem. 71(2014); 287-304.
A.M.Veselinović, JB. Milosavljević, AA. Toropov, G. M. Nikolić, Eur. J. Pharm. Sci. 48 (2013), 532-41.
A. Bakalova, H. Varbanov, R. Buyukliev, G. Momekov, D. Ivanov, I. Doytchinov., Arch. Pharm. Chem. Life Sci. 11 (2011); 209–216.
P. Sarmah, R.C. Deka, J Comput. Aided. Mol. Des. 23 (2009); 343–354.
H. P. Varbanov, M. A. Jakupec, A. Roller, F. Jensen, M. Galanski, B. K. Keppler, J. Med. Chem. 56 (2013); 330−344.
P. Gramatica, E. Papa, M. Luini., E. Monti, M. B. Gariboldi, M. Ravera, E. Gabano, L. Gaviglio, D. Osella, J. Biol. Inorg. Chem. 15 (2010); 1157–1169.
D. Dimitrijevic, et al., Inorganica Chimica Acta, 402 (2013); 83-89.
S. L. Yoong, Biomaterials, 35 (2014); 748-759.
L. E. Mihajlovic, Int. J. Electrochem. Sci, 8 (2013); 8433-8441.
V. Novohradsky, et al., J. Inorg. Biochem., 140 (2014); 72-79.
Y-R. Zheng, et al, J. Am. Chem. Soc, 136 (2014); 8790-8798.
J. J. Wilson, etal., Inorg. Chem., 50 (2011), 3103-3115.
M. R. Reithofer, et al., J. Inorg. Biochem. 105 (2011); 46-51.
A. Golbraikh, A.Tropsha, A.; J. Mol. Graph. Model. 20 (2002), 269-276.
K. Levenberg, Quarterly of Applied Mathematics, 2 (1944), 164-168.
İ. Yılmaz, N. Acar-Selçuk, S. J. Coles, F. Pekdemir, A. Şengül. J. Mol. Struct. 1223 (2021); 129271.
A. M. .Fathi, H. S.Mandour, El. Hassane Anouar. J. Mol. Struct. 1224 (2021); 129263.
S. Baskaran, M.M Krishnan, R. Kumar, J. Molecul. Struct, 1224 (2021); 129236.
A. Abkari, I. Chaabane, K. Guidara, Physica E: Low-dimensional Systems and Nanostructures, 81 (2016); 136-144.
I. Yılmaz, N. Acar-Selçuki, A. Şengül, J. Molecul. Struct., 1223 (2021), 129271.
R. E. Hag, M. M Abdusalam, C, Aclian, H. Kayi, S. Özalp-Yaman., Polyhedron., 170 (2019), 25-33.
G. P. Rosa., A. Palmeira., D. I. S. P. Resende, I. F. Almeida, A. Kane-Pagès, M. C. Barreto., E. Sousa, M. M. M. Pinto., Bioorganic & Medicinal Chemistry. 29 (2021); 115873.
