Volume : 13, Issue : 01, January – 2026
Title:
QSAR ANALYSIS OF 5-N-SUBSTITUTED-2-(SUBSTITUTED BENZENESULPHONYL) – GLUTAMAMINES AS ANTITUMOR AGENT
Authors :
Mr. Swapnil R. Patil, Mr. Avinash M. Patil, Ms. Harshada A Patil, Ms. Asmita D Vasaikar, Prof. Dr. Pankaj M Chaudhari
Abstract :
A data set of five was subjected to a quantitative structure–activity relationship (QSAR) analysis.The antitumor properties of N-substituted-2-(substituted Benzenesulphonyl)-glutamamine derivatives activity. Several kinds of descriptors, such as WHIM, 3DMorse, and 2D autocorrelationDescriptors were employed to establish a numerical correlation between antitumor activity andstructural characteristics. Six parametric models were discovered, according to a multiple linear regression analysisto be optimal for simulating the current set of compounds’ log (TWI) activity. For optimal QSARThe model’s R2 statisticsFor the current set of compounds, =0.9103; Q=30.385; N=32. ThisRidge and the leave-one-out (LOO) cross-validation method were used to further validate the model regression.
Keywords: QSAR, 2D autocorrelation, (LOO) cross-validation, Ridge regression analysis, Model.
Cite This Article:
Please cite this article in press Swapnil R. Patil et al., QSAR Analysis Of 5-N-Substituted-2-(Substituted Benzenesulphonyl) – Glutamamines As Antitumor Agent, Indo Am. J. P. Sci, 2026; 13(01).
REFERENCES:
1. Y.J. Kang, Y. Feng, E.L. Hatcher, J. Cell Physiology, 161 (1994) 589-596.
2. Y.J. Kang, Cell. Mol. Biol. Res., 39 (1993) 675-684.
3. G. Ollenschlager, A. Simmel, E. Roth, Metabolsm, (1989), 38S40-S42.
4. C.Costa, J.F. Huneau, D.Tome, Biochem. Biophys. Acta 1509 (2000) 95-102
5. C.L. Collins, M. Wasa, W.W. Souba, S.F. Abcouwer J. Cell Phsiol. 176 (1998) 166- 178.
6. S. Sukemori , K. Sugimura, Cancer Biochem. Biophys. 14 (1994) 99-105.
7. F. Devreker ,R.M.Winston, K. Hardy, Fertil. Steril., 69 (1998) 293-299.
8. S. Singhal, J. Mehta, Biomed Pharmacother, 56 (2002) 54-12.
9. H. Tsuda, A. Iemura, M. Sata, M. Uchida, K. Yamana, H. K. Hara, Med. J. 43 (1996) 137-147.
10.X.Y. Yao, J.P. Panaye, J.P. Doucet, R.S. Zang, H.F. Chen, N.H. Liu, Z.D. Hu, B.T. Fan, J. Chem. Inf. Comput. Sci., 44 (2004) 1257-1266.
11.M. Talebi, G.H. Ghasemi, H. Kefayati, World Academy of Science, Engineering and Technology, 81, (2011)
12.Chem Sketch: www.acdlabs.com
13. DRAGON : Software for Calculation of Topological Indices, www.disat.unimib.it
14.NCSS, Kaysville Utah, www.ncss.com
15. S. Chaterjee, A. S. Hadi, B. Price, Regression Analysis by Examples, 3rd Ed., Wiley, New York, 51 (2000).
16. L. Pogliani, J. Phys. Chem., 100 (1996) 18065-18077.
17. L. Pogliani, Amino Acids. 6 (1994) 141-153