Author(s): Apeksha P. Motghare, Parimal P. Katolkar, Tina S. Lichade

Email(s): parimal.katolkar@gmail.com

DOI: 10.52711/0974-360X.2023.00671   

Address: Apeksha P. Motghare, Parimal P. Katolkar*, Tina S. Lichade
Department of Pharmaceutical Chemistry, Kamla Nehru College of Pharmacy, Butibori, Nagpur.
*Corresponding Author

Published In:   Volume - 16,      Issue - 9,     Year - 2023


ABSTRACT:
Objective: Prostate cancer is a disease in which the malignant cells form in the tissues of the prostate. Once more, medicinal plants are being researched for the treatment of lung cancer. Prototypical compounds found in medicinal plants have been the source of many conventional medications. In-silico testing of Phyllanthus niruri phytoconstituents for anticancer efficacy was a part of our investigation. Design: Utilizing Discovery studio, molecular docking is done to assess the pattern of interaction between the phytoconstituents from the Phyllanthus niruri plant and the crystal structure of the anticancer proteins (PDB ID: 5OTE). Later, SwissADME and pkCSM were used to screen for toxicity as well as the pharmacokinetic profile. Results: The docked results suggest that luteolin (-8.2kcal/mol), and caffeic acid (-6.5kcal/mol), for 5OTE macromolecule has best binding affinity towards MRCK for anticancer activity on prostate as compared to the standard drug lenvatinib mesylate (-3.4kcal/mol). Furthermore, pharmacokinetics and toxicity parameters were within acceptable limits according to ADMET studies. Conclusion: Results from the binding potential of phytoconstituents aimed at anticancer activity were encouraging. It promotes the usage of Phyllanthus niruri and offers crucial details on pharmaceutical research and clinical care.


Cite this article:
Apeksha P. Motghare, Parimal P. Katolkar, Tina S. Lichade. In-Silico Prediction of Phytoconstituents from Phyllanthus niruri for Anticancer Activity against Prostate Cancer Targeting MRCK kinases. Research Journal of Pharmacy and Technology 2023; 16(9):4105-1. doi: 10.52711/0974-360X.2023.00671

Cite(Electronic):
Apeksha P. Motghare, Parimal P. Katolkar, Tina S. Lichade. In-Silico Prediction of Phytoconstituents from Phyllanthus niruri for Anticancer Activity against Prostate Cancer Targeting MRCK kinases. Research Journal of Pharmacy and Technology 2023; 16(9):4105-1. doi: 10.52711/0974-360X.2023.00671   Available on: https://www.rjptonline.org/AbstractView.aspx?PID=2023-16-9-15


REFERENCES:
1.    Mamta S. Uparkar, Sunil H. Ganatra. Qualitative Phytochemical Screening and Identification of Phytoconstituents from Phyllanthus niruri Linn. by GC-MS. Research J. Pharm. and Tech. 2020; 13(8):3618-3622. doi: 10.5958/0974-360X.2020.00640.X
2.    Reni Nigam, Praveen Garg. Antimicrobial Studies on Aqueous and Ethanolic Extract of Root, Stem and Leaves of Phyllanthus niruri (Bhumi Amla): Hepatoprotective Medicinal Plant. Research Journal of Pharmacy and Technology. 2022; 15(11):5278-2. doi: 10.52711/0974-360X.2022.00889
3.    Emy Koestanti Sabdoningrum, Sri Hidanah, Arif N. M. Ansori, Amaq Fadholly. Immunomodulatory and Antioxidant Activities of Phyllanthus niruri L. Extract against the Laying Hens Infected by Escherichia coli. Research J. Pharm. and Tech. 2020; 13(5): 2246-2250. doi: 10.5958/0974-360X.2020.00404.7
4.    Dhar ML et al. Screening of Indian plants for biological activity: I. Indian J Exp Biol. 1968; 6: 232–247.
5.    Manu Mehta, Sarika Gupta, Ajay Duseja. Evaluation of Hepatoprotective effect of Phyllanthus niruri in experimental model of NAFLD. Research Journal of Pharmacy and Technology. 2021; 14(9):4685-0. doi: 10.52711/0974-360X.2021.00814
6.    Venkateswaran PS et al. Effects of an extract from Phyllanthus niruri on hepatitis B and woodchuck hepatitis viruses: in vitro and in vivo studies. Proc Natl Acad Sci USA. 1987; 84: 274–278.
7.    Sri Luliana, Rani Rawinda, Sehro, Syaazaratul Qamelia Innas. Test activity of hair tonic of ethyl acetate fraction from the ethanol extract of meniran (Phyllanthus niruri L.) as hair grower to male white rat (Rattus norvegicus) wistar strain. Research J. Pharm. and Tech. 2019; 12(3): 999-1002. doi: 10.5958/0974-360X.2019.00165.3
8.    Wei W et al. Lignans with antihepatitis B virus activities from Phyllanthus niruri L. Phytother Res: PTR. 2012; 26: 964–968.
9.    Murugaiyah V, Chan KL. Analysisof lignans from Phyllanthus niruriL. in plasma using a simple HPLCmethod with fluorescence detectionand its application in a pharmacokineticstudy. J Chromatogr B Analyt Technol Biomed Life Sci. 2007; 852: 138–144.
10.    Morris GM, Huey R, Lindstrom W, Sanner MF, Belew RK, Goodsell DS, Olson AJ. AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility. Journal of Computational Chemistry. 2009;30(16):2785-91.
11.    Pettersen EF, Goddard TD, Huang CC, Couch GS, Greenblatt DM, Meng EC, Ferrin TE. UCSF Chimera—a visualization system for exploratory research and analysis. Journal of Computational Chemistry. 2004;25(13):1605-12.
12.    Pavlo V. Zadorozhnii, Vadym V. Kiselev, Nataliia O. Teslenko, Aleksandr V. Kharchenko, Ihor O. Pokotylo, Oxana V. Okhtina, Oxana V. Kryshchyk. In Silico Prediction and Molecular Docking Studies of N-Amidoalkylated Derivatives of 1,3,4-Oxadiazole as COX-1 and COX-2 Potential Inhibitors. Research J. Pharm. and Tech. 2017; 10(11): 3957-3963. doi: 10.5958/0974-360X.2017.00718.1
13.    N. Habeela Jainab,, M. K. Mohan Maruga Raja. In Silico Molecular Docking Studies on the Chemical Constituents of Clerodendrum phlomidis for its Cytotoxic Potential against Breast Cancer Markers. Research J. Pharm. and Tech. 2018; 11(4): 1612-1618. doi: 10.5958/0974-360X.2018.00300.1
14.    Prerana Sensharma, K. Anbarasu, S. Jayanthi. In silico Identification of Novel Inhibitors against Plasmodium falciparum Triosephosphate Isomerase from Anti-Folate Agents. Research J. Pharm. and Tech. 2018; 11(8): 3367-3370 doi: 10.5958/0974-360X.2018.00619.4
15.    Suko Hardjono, Tri Widiandani, Bambang T. Purwanto, Anindi L. Nasyanka. Molecular Docking of N-benzoyl-N'-(4-fluorophenyl) thiourea Derivatives as Anticancer Drug Candidate and Their ADMET prediction. Research J. Pharm. and Tech. 2019; 12(5):2160-2166. doi: 10.5958/0974-360X.2019.00359.7
16.    Salsa Lina Agustin, Tri Widiandani, Suko Hardjono, Bambang Tri Purwanto. QSAR of Acyl pinostrobin derivatives as Anti-breast cancer against HER-2 receptor and their ADMET properties based on in silico Study. Research Journal of Pharmacy and Technology. 2022; 15(10):4641-8. doi: 10.52711/0974-360X.2022.00779
17.    Hall A. The cytoskeleton and cancer. Cancer Metastasis Rev. 2009;28:5–14.
18.    Mardilovich K, Olson MF, Baugh M. Targeting Rho GTPase signaling for  cancer therapy. Future Oncol. 2012;8:165–77.
19.    Yende SR, Shah SK, Arora SK, Moharir KS, Lohiya GK. In silico prediction of phytoconstituents from Ehretia laevis targeting TNF-α in arthritis. Digital Chinese Medicine. 2021; 4(3):180-90.
20.    Kaloni D, Chakraborty D, Tiwari A, Biswas S. In silico studies on the phytochemical components of Murraya koenigii targeting TNF-α in rheumatoid arthritis. Journal of Herbal Medicine. 2020;24:100396.
21.    Joshi T, Sharma P, Joshi T, Chandra S. In silico screening of anti-inflammatory compounds from Lichen by targeting cyclooxygenase-2. Journal of Biomolecular Structure and Dynamics. 2020;38(12):3544-62.
22.    Nisha CM, Kumar A, Vimal A, Bai BM, Pal D, Kumar A. Docking and ADMET prediction of few GSK-3 inhibitors divulges 6-bromoindirubin-3-oxime as a potential inhibitor. Journal of Molecular Graphics and modelling. 2016;65:100-7.
23.    Raimundo Fernandes de Arau´ jo Ju´ nior, Tatiane Pereira de Souza, Ju´ lia Glo´ ria Lucatelli Pires, Luiz Alberto Lira Soares, Aurigena Antunes de Arau´ jo, Pedro Ros Petrovick, HelainyDaline Oliveira Maˆ cedo, Ana Luiza Cabral de Sa´ Leita˜ o Oliveira8 and Gerlane Coelho Bernardo Guerra. A dry extract of Phyllanthus niruri protects normal cells and induces apoptosis in human liver carcinoma cells. Experimental Biology and Medicine 2012; 237: 1281–1288. DOI: 10.1258/ebm.2012.012130.
24.    Muhammad Sayuti, Ignatius Riwanto, B. Parish Boediono, TeukuIlhami Surya Akbar. Anticancer Activity of Phyllanthus Niruri Linn Extract in Colorectal Cancer Patients: A phase II Clinical Trial. Sys Rev Pharm. 2020;11(10):313-317.

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