Copyright (c) 2023 Surajit Maity, Gopal Krishna Padhy , Lakshmi Kanta Kanthal, Suman Pattanayak
This work is licensed under a Creative Commons Attribution 4.0 International License.
Evaluation of Phytochemicals Constituents of Gyrocarpus asiaticus Willd. and Lactuca runcinata DC for Antioxidant Activity by Molecular Docking Study
Corresponding Author(s) : Surajit Maity
Asian Journal of Chemistry,
Vol. 36 No. 1 (2024): Vol 36 Issue 1, 2024
Abstract
In this study, based on the molecular docking study, the antioxidant activity of phytochemicals constituents of hydroalcoholic extract of Gyrocarpus asiaticus Willd. and Lactuca runcinata DC were evaluated. For molecular docking study, ligand generation of phytochemicals constituents of Lactuca runcinata DC and Gyrocarpus asiaticus Willd. were performed by visualizing software Biovia Discovery Studio. The docking study of two proteins viz. NADPH oxidase (PDB ID 2CDU) and human carbonyl reductase–I (PDB ID 3BHI) with the identified phytochemicals constituents was done by Auto Dock Vina. Depending on the docking score, the best three compounds were selected from each plant. For physico-chemical properties prediction and toxicity of these compounds were predicted by the Swiss ADME and Orisis properties explorer.
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- A. Najmi, S.A. Javed, M. Al-Bratty and H.A. Alhazmi, Molecules, 27, 349 (2022); https://doi.org/10.3390/molecules27020349
- B.M. Twaij and M.N. Hasan, Int. J. Plant Biol., 13, 4 (2022); https://doi.org/10.3390/ijpb13010003
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- T.T.T. Vo, P.-M. Chu, V.P. Tuan, J.S.-L. Te and I-T. Lee, Antioxidants, 9, 1211 (2020); https://doi.org/10.3390/antiox9121211
- V. Nigam and J.S. Sodhi, Int. J. Pharm. Biol. Sci., 4, 173 (2014).
- M.M. Rahaman, M.B. Islam, M. Biswas and A.H. Alam, BMC Res. Notes, 8, 621 (2015); https://doi.org/10.1186/s13104-015-1618-6
- V. Shinde and K. Mahadik, Int. J. Herb. Med., 7, 27 (2019).
- D.M. Kasote, S.S. Katyare, M.V. Hegde and H. Bae, Int. J. Biol. Sci., 11, 982 (2015); https://doi.org/10.7150/ijbs.12096
- J. Li, X. Liu, L. Shen, W. Zeng and G. Qiu, Trop. J. Pharm. Res., 15, 1089 (2016); https://doi.org/10.4314/tjpr.v15i5.27
- M. Zahin, F. Aqil and I. Ahmed, Int. J. Pharm. Pharm. Sci., 1, 88 (2009).
- S. Kumari, M. Deori, R. Elancheran, J. Kotoky and R. Devi, Front. Pharmacol., 7, 400 (2016); https://doi.org/10.3389/fphar.2016.00400
- S. Wind, K. Beuerlein, T. Eucker, H. Müller, P. Scheurer, M.E. Armitage, H. Ho, H.H.H.W. Schmidt and K. Wingler, Br. J. Pharmacol., 161, 885 (2010); https://doi.org/10.1111/j.1476-5381.2010.00920.x
- A. Farouk, M. Mohsen, H. Ali, H. Shaaban and N. Albaridi, Molecules, 26, 4145 (2021); https://doi.org/10.3390/molecules26144145
- D. Ahmed, V. Kumar, M.Sharma and A. Verma, BMC Complement. Altern. Med., 14, 155 (2014); https://doi.org/10.1186/1472-6882-14-155
- B. Bakchi, A.D. Krishna, E. Sreecharan, V.B. Ganesh, V.B.J. Ganesh, M. Niharika, S. Maharshi, S.B. Puttagunta, D.K. Sigalapalli, R.R. Bhandare and A.B. Shaik, J. Mol. Struct., 1259, 1327 (2022); https://doi.org/10.1016/j.molstruc.2022.132712
- Biovia DS, Discovery Studio Visualizer, Release 2020, San Diego:Dassault Systemes (2020).
- Osiris Property Explorer; www.organicchemistry.org/prog/peo/ (accessed date June 23, 2023).
- S. Maity, S. Pattanayak and L. Kantakanthal, J. Innov. Dev. Pharm. Technol. Sci., 6, 1 (2023).
References
A. Najmi, S.A. Javed, M. Al-Bratty and H.A. Alhazmi, Molecules, 27, 349 (2022); https://doi.org/10.3390/molecules27020349
B.M. Twaij and M.N. Hasan, Int. J. Plant Biol., 13, 4 (2022); https://doi.org/10.3390/ijpb13010003
J. Hu, X. Li, N. Wu, C. Zhu, X. Jiang, K. Yuan, Y. Li, J. Sun and W. Bai, Antioxidants, 12, 508 (2023); https://doi.org/10.3390/antiox12020508
T.T.T. Vo, P.-M. Chu, V.P. Tuan, J.S.-L. Te and I-T. Lee, Antioxidants, 9, 1211 (2020); https://doi.org/10.3390/antiox9121211
V. Nigam and J.S. Sodhi, Int. J. Pharm. Biol. Sci., 4, 173 (2014).
M.M. Rahaman, M.B. Islam, M. Biswas and A.H. Alam, BMC Res. Notes, 8, 621 (2015); https://doi.org/10.1186/s13104-015-1618-6
V. Shinde and K. Mahadik, Int. J. Herb. Med., 7, 27 (2019).
D.M. Kasote, S.S. Katyare, M.V. Hegde and H. Bae, Int. J. Biol. Sci., 11, 982 (2015); https://doi.org/10.7150/ijbs.12096
J. Li, X. Liu, L. Shen, W. Zeng and G. Qiu, Trop. J. Pharm. Res., 15, 1089 (2016); https://doi.org/10.4314/tjpr.v15i5.27
M. Zahin, F. Aqil and I. Ahmed, Int. J. Pharm. Pharm. Sci., 1, 88 (2009).
S. Kumari, M. Deori, R. Elancheran, J. Kotoky and R. Devi, Front. Pharmacol., 7, 400 (2016); https://doi.org/10.3389/fphar.2016.00400
S. Wind, K. Beuerlein, T. Eucker, H. Müller, P. Scheurer, M.E. Armitage, H. Ho, H.H.H.W. Schmidt and K. Wingler, Br. J. Pharmacol., 161, 885 (2010); https://doi.org/10.1111/j.1476-5381.2010.00920.x
A. Farouk, M. Mohsen, H. Ali, H. Shaaban and N. Albaridi, Molecules, 26, 4145 (2021); https://doi.org/10.3390/molecules26144145
D. Ahmed, V. Kumar, M.Sharma and A. Verma, BMC Complement. Altern. Med., 14, 155 (2014); https://doi.org/10.1186/1472-6882-14-155
B. Bakchi, A.D. Krishna, E. Sreecharan, V.B. Ganesh, V.B.J. Ganesh, M. Niharika, S. Maharshi, S.B. Puttagunta, D.K. Sigalapalli, R.R. Bhandare and A.B. Shaik, J. Mol. Struct., 1259, 1327 (2022); https://doi.org/10.1016/j.molstruc.2022.132712
Biovia DS, Discovery Studio Visualizer, Release 2020, San Diego:Dassault Systemes (2020).
Osiris Property Explorer; www.organicchemistry.org/prog/peo/ (accessed date June 23, 2023).
S. Maity, S. Pattanayak and L. Kantakanthal, J. Innov. Dev. Pharm. Technol. Sci., 6, 1 (2023).