QSAR Study of Indolylisoxazoline Analogues for Their Antiprostat Activity
Abstract
Quantitative Structure-Activity relationship study of 13 Indolylisoxazoline analogues as antiprostat agent using multiple linear regression (MLR) has been done. Geometri optimization of Indolylisoxazoline analogues using molecular mechanics (MM+) method. The best QSAR model from regression analysis is log IC50 Pred = 30,877 - 71,847 x qC10 + 165,070 x qC11 + 70,106 x qC13 with most influents descriptor to antiprostat activity are qC10, qC11 dan qC13.
Keywords
Full Text:
PDFReferences
Abdullahi, M., Uzairu, A., Shallangwa, G. A., Mamza, P., Arthur, D. E., & Ibrahim, M. T. (2019). In-silico modelling studies on some C14-urea-tetrandrine derivatives as potent anti-cancer agents against prostate (PC3) cell line. Journal of King Saud University - Science.
Chaitanya, M. V. S. K., Reddy, P. O. V., Nikhil, K., Kumar, A., Shah, K., & Kumar, D. (2018). Synthesis and anticancer activity studies of indolylisoxazoline analogues. Bioorganic and Medicinal Chemistry Letters, 28(17), 2842–2845.
Golbraikh, A., Shen, M., Xiao, Z., Xiao, Y., & Lee, K. (2003). Rational selection of training and test sets for the development of validated QSAR models. Journal of Computer-Aided Molecular Design, 17, 241–253.
Kilo, J., & Kilo, A. (2019). Kajian HKSA Antimalaria Senyawa Turunan Quinolon-4 (1H )-imines Menggunakan Metode MLR-ANN. Jambura Journal of Chemistry, 01(1), 21–26.
Kovačević, S. Z., Podunavac-Kuzmanović, S. O., Jevrić, L. R., Vukić, V. R., Savić, M. P., & Djurendić, E. A. (2016). Preselection of A- and B- modified D-homo lactone and D-seco androstane derivatives as potent compounds with antiproliferative activity against breast and prostate cancer cells – QSAR approach and molecular docking analysis. European Journal of Pharmaceutical Sciences, 93, 107–113.
Li, K., Li, Y., Zhou, D., Fan, Y., Guo, H., Ma, T., … Zhao, L. (2016). Synthesis and biological evaluation of quinoline derivatives as potential anti-prostate cancer agents and Pim-1 kinase inhibitors. Bioorganic and Medicinal Chemistry, 24(8), 1889–1897.
Mishra, M., Mishra, V. K., Senger, P., Pathak, A. K., & Kashaw, S. K. (2013). Exploring QSAR studies on 4-substituted quinazoline derivatives as antimalarial compounds for the development of predictive models. Medicinal Chemistry Research.
Motta, L. F., & Almeida, W. P. (2011). Quantitative Structure-Activity Relationships ( QSAR ) of A Series of Ketone Derivatives as Anti-Candida Albicans. International Journal of Drug Discovery, 3(2), 100–117.
Pourbasheer, E., Vahdani, S., Malekzadeh, D., Aalizadeh, R., & Ebadi, A. (2017). Qsar study of 17β-HSD3 inhibitors by genetic algorithm-support vector machine as a target receptor for the treatment of prostate cancer. Iranian Journal of Pharmaceutical Research, 16(3), 966–980.
Shi, Y. K., Wang, B., Shi, X. L., Zhao, Y. Di, Yu, B., & Liu, H. M. (2018). Synthesis and biological evaluation of new steroidal pyridines as potential anti-prostate cancer agents. European Journal of Medicinal Chemistry, 145, 11–22.
Siegel, R., Miller, K., & Jemal, A. (2019). Cancer Statistics, 2007. CA: A Cancer Journal for Clinicians, 69(1), 7–34.
Vue, B., Zhang, S., Zhang, X., Parisis, K., Zhang, Q., Zheng, S., Chen, Q. H. (2016). Silibinin derivatives as anti-prostate cancer agents: Synthesis and cell-based evaluations. European Journal of Medicinal Chemistry, 109, 36–46.
WHO.Globocan. (2019). All cancers incidence worldwide. In International Agency for Research on Cancer. Retrieved from http://gco.iarc.fr/today
WHO. (2018). Latest global cancer data. In International Agency for Research on cancer. Retrieved from http://gco.iarc.fr/
DOI: https://doi.org/10.34312/jambchem.v1i2.2673
Refbacks
- There are currently no refbacks.
Copyright (c) 2019 Jambura Journal of Chemistry
EDITORIAL OFFICE
This work is licensed under a Creative Commons Attribution-NonCommercial 4.0 International License.