Insilico Prediction of Multitarget Mechanism of Quinoline & Its Analogues on Phosphoinositide-3- Kinase Pathway Proteins

Year : 2023 | Volume : 01 | Issue : 01 | Page : 41-54

    Nyaipriya Devi Sanglakpam

  1. Student, B.Sc(Hons) Biotechnology, Ramaiah University of Applied Sciences, Mathikere, Karnataka, India


Objective: Phosphoinositide 3-kinases (PI3Ks), the target of rapamycin (PI3K/Akt/mTOR, PAM, are a family of enzymes that play a role in the growth, proliferation, differentiation, motility, survival, and intracellular trafficking of cells, all of which are essential for healthy cellular function and are also connected to cancer. In this study, Quinoline and its derivatives were employed to analyse its inhibition activity on the phosphoinositide-3-kinase pathway. Methods: In this work, 8 phytocompounds from quinoline were chosen, and the PHOSPHOINOSITIDE-3-KINASE PATHWAY was analysed to assess their multitarget mechanism. The study was carried out computationally utilising PubChem as a data source and the molecular structures of the phytocompounds, as well as Indian medicinal plants, phytochemistry, and treatments. For the pharmacological evaluation of these drugs under the ADME properties for toxicity prediction, several additional approaches were applied. Results: The docking data revealed that eight analogues of quinoline were the most potent inhibitors for the proteins, Akt PBD 3MV5, PDK1 3RWQ, PIK3 3S2A and mTOR-4DRI. Conclusion: All of these bioactive compounds could be regarded as worthy candidates for the inhibition of the phosphoinositide-3-kinase pathway due to their high affinity for the protein.

Keywords: Phosphoinositide 3-kinase pathway, quinoline, 4DRI protein, 3MV5 protein, 3S2A protein, 3RWQ protein, multitarget mechanism.

[This article belongs to International Journal of Molecular Biotechnological Research(ijmbr)]

How to cite this article: Nyaipriya Devi Sanglakpam Insilico Prediction of Multitarget Mechanism of Quinoline & Its Analogues on Phosphoinositide-3- Kinase Pathway Proteins ijmbr 2023; 01:41-54
How to cite this URL: Nyaipriya Devi Sanglakpam Insilico Prediction of Multitarget Mechanism of Quinoline & Its Analogues on Phosphoinositide-3- Kinase Pathway Proteins ijmbr 2023 {cited 2023 Apr 20};01:41-54. Available from:

Browse Figures


  1. Popova, N. V., & Jücker, M. (2021). The Role of mTOR Signaling as a Therapeutic Target in Cancer. International journal of molecular sciences, 22(4), 1743.
  2. Mishra, R., Patel, H., Alanazi, S., Kilroy, M. K., & Garrett, J. T. (2021). PI3K Inhibitors in Cancer: Clinical Implications and Adverse Effects. International journal of molecular sciences, 22(7), 3464.
  3. Singh, P., & Bast, F. (2014). Multitargeted molecular docking study of plant-derived natural products on phosphoinositide-3 kinase pathway components. Medicinal Chemistry Research, 23(4), 1690–


  1. Cantley, L. C. (2002). The phosphoinositide 3-kinase pathway. Science, 296(5573), 1655–
  2. Ilakiyalakshmi, M., & Napoleon, A. A. (2022). Review on recent development of quinoline for anticancer activities. Arabian Journal of Chemistry, 104168.
  3. Ma, X., Shen, L., Zhang, J., Liu, G., Zhan, S., Ding, B., & Lv, X. (2019). Novel 4-acrylamido-quinoline derivatives as potent PI3K/mTOR dual inhibitors: the design, synthesis, and in vitro and in vivo biological evaluation. Frontiers in chemistry, 7, 236.
  4. Moor, L. F., Vasconcelos, T. R., da R Reis, R., Pinto, L. S., & da Costa, T. M. (2021). Quinoline: An Attractive Scaffold in Drug Design. Mini Reviews in Medicinal Chemistry, 21(16), 2209–
  5. Jain, S., Chandra, V., Jain, P. K., Pathak, K., Pathak, D., & Vaidya, A. (2019). Comprehensive review on current developments of quinoline-based anticancer agents. Arabian Journal of Chemistry, 12(8), 4920–
  6. Mohanraj, K., Karthikeyan, B. S., Vivek-Ananth, R. P., Chand, R. P. B., Aparna, S. R., Mangalapandi, P., & Samal, A. (2018). IMPPAT: A curated database of Indian Medicinal Plants, Phytochemistry And Therapeutics. Scientific reports, 8(1), 4329.
  7. Kim, S., Chen, J., Cheng, T., Gindulyte, A., He, J., He, S., Li, Q., Shoemaker, B. A., Thiessen, P. A., Yu, B., Zaslavsky, L., Zhang, J., & Bolton, E. E. (2021). PubChem in 2021: new data content and improved web interfaces. Nucleic acids research, 49(D1), D1388–D1395.
  8. Burley, S. K., Berman, H. M., Kleywegt, G. J., Markley, J. L., Nakamura, H., & Velankar, S. (2017). Protein Data Bank (PDB): The Single Global Macromolecular Structure Archive. Methods in molecular biology (Clifton, N.J.), 1607, 627–641.
  9. Kemmish, H., Fasnacht, M., & Yan, L. (2017). Fully automated antibody structure prediction using BIOVIA tools: Validation study. PloS one, 12(5), e0177923.
  10. de Beer, T. A., Berka, K., Thornton, J. M., & Laskowski, R. A. (2014). PDBsum additions. Nucleic acids research, 42(Database issue), D292–D296.
  11. Dallakyan, S., & Olson, A. J. (2015). Small-molecule library screening by docking with PyRx. Methods in molecular biology (Clifton, N.J.), 1263, 243–250.
  12. Xiong, G., Wu, Z., Yi, J., Fu, L., Yang, Z., Hsieh, C., Yin, M., Zeng, X., Wu, C., Lu, A., Chen, X., Hou, T., & Cao, D. (2021). ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties. Nucleic acids research, 49(W1), W5–W14.
  13. Miricescu, D., Totan, A., Stanescu-Spinu, I. I., Badoiu, S. C., Stefani, C., & Greabu, M. (2020). PI3K/AKT/mTOR Signaling Pathway in Breast Cancer: From Molecular Landscape to Clinical Aspects. International journal of molecular sciences, 22(1), 173.



  1. Liu, P., Cheng, H., Roberts, T. M., & Zhao, J. J. (2009). Targeting the phosphoinositide 3-kinase pathway in cancer. Nature reviews Drug discovery, 8(8), 627–
  2. Yang, J., Nie, J., Ma, X., Wei, Y., Peng, Y., & Wei, X. (2019). Targeting PI3K in cancer: mechanisms and advances in clinical trials. Molecular cancer, 18(1), 26.


Regular Issue Subscription Original Research
Volume 01
Issue 01
Received March 2, 2023
Accepted March 12, 2023
Published April 20, 2023