Phytochemical Screening of Moringa oleifera as Antioxidant and Anticancer through Chemoinformatics Approach

https://doi.org/10.24036/sainstek/vol2-iss01/19

Authors

  • Sin War Naw Department of Chemistry, Myitkyina University, Myitkyina, Myanmar
  • Nur Sofiatul Aini Faculty of Mathematics and Natural Sciences, Universitas Negeri Surabaya, Surabaya, Indonesia
  • Ahmad Affan Ali Murtadlo Faculty of Science and Technology, Universitas Airlangga, Surabaya, Indonesia
  • Muhammad Badrut Tamam Department of Biology, Faculty of Sciences and Technology, Universitas Muhammadiyah Lamongan, Lamongan, Indonesia
  • Dora Dayu Rahma Turista Biology Education Department, Faculty of Teacher Training and Education, Mulawarman University, Samarinda, Indonesia
  • Md. Emdad Ullah Department of Chemistry, Mississippi State University, Mississippi State, United States

Keywords:

Anticancer, Antioxidant, Chemoinformatics, In Silico, Moringa oleifera

Abstract

Moringa oleifera, also known as kelor, this plant is better known to have benefits in the field of health including having properties as an antioxidant and anticancer. Several previous studies have revealed the potential of Moringa oleifera in the health sector such as anti-inflammatory, wound healing, antidiabetic, and antiviral. This study aims to obtain preliminary information on the possible bioactive activities of Moringa oleifera, which can be the basis for further research and development of its therapeutic potential. The in silico method used in this study consists of sample preparation of compounds from Moringa oleifera in the database, prediction of antioxidant and anticancer probabilities, and visualization of the three-dimensional structure of target compounds with positive predictions. Moringa oleifera has Rutin compounds that act as antioxidants and anticancer based on bioactivity tests. This can provide an illustration of future prospects that Moringa oleifera can be used as an alternative treatment and supplement. The higher probability of activity indicates the potential presence that results when these compounds are already used in the form of standardized drug products.

References

Zhu Y, Yin Q, Yang Y. Comprehensive Investigation of Moringa oleifera from Different Regions by Simultaneous Determination of 11 Polyphenols Using UPLC-ESI-MS/MS. Molecules. 2020; 25(3): 676. DOI: 10.3390/molecules25030676.

Peñalver R, Martínez-Zamora L, Lorenzo JM, Ros G, Nieto G. Nutritional and Antioxidant Properties of Moringa oleifera Leaves in Functional Foods. Foods. 2022; 11(8): 1107. DOI: 10.3390/foods11081107.

Al-Asmari AK, Albalawi SM, Athar MT, Khan AQ, Al-Shahrani H, Islam M. Moringa oleifera as an Anti-Cancer Agent against Breast and Colorectal Cancer Cell Lines. PLoS One. 2015 Aug 19;10(8):e0135814. DOI: 10.1371/journal.pone.0135814

Ramadhani NF, Nugraha AP, Ihsan IS, Agung YA, Rantam FA, Ernawati DS et al. Gingival medicinal signaling cells conditioned medium effect on the osteoclast and osteoblast number in lipopolysaccharide-induced calvaria bone resorption in wistar rats’ (Rattus novergicus). Research Journal of Pharmacy and Technology. 2021; 14(10): 5232-5237. DOI: 10.52711/0974-360X.2021.00911

Kharisma VD, Ansori ANM, Jakhmola V, Rizky WC, Widyananda MH, Probojati RT, Murtadlo AAA, Rebezov M, Scherbakov P, Burkov P, Matrosova Y, Romanov A, Sihombing MAEM, Antonius Y, Zainul R. Multi-strain human papillomavirus (HPV) vaccine innovation via computational study: A mini review. Res J Pharm Technol. 2022; 15(8):3802-7. doi: 10.52711/0974-360X.2022.00638

Fahmi M, Kharisma VD, Ansori ANM, Ito M. Retrieval and Investigation of Data on SARS-CoV-2 and COVID-19 Using Bioinformatics Approach. Adv Exp Med Biol. 2021; 1318: 839-857. DOI: 10.1007/978-3-030-63761-3_47

Kharisma VD, Probojati RT, Murtadlo AAA, Ansori ANM, Antonius Y, Tamam MB. Revealing Potency of Bioactive Compounds as Inhibitor of Dengue Virus (DENV) NS2B/NS3 Protease from Sweet Potato (Ipomoea batatas L.) Leaves. Indian J Forensic Med Toxicol. 2020; 15(1): 1627–1632. DOI: 10.37506/ijfmt.v15i1.13644

Husen SA, Winarni D, Salamun, Ansori ANM, Susilo RJK, Hayaza S. Hepatoprotective Effect of Gamma-mangostin for Amelioration of Impaired Liver Structure and Function in Streptozotocin-induced Diabetic Mice. IOP Conference Series: Earth and Environmental Science. 2019; 217(1): 012031. DOI: 10.1088/1755-1315/217/1/012031

Turista DDR, Islamy A, Kharisma VD, Ansori ANM. Distribution of COVID-19 and Phylogenetic Tree Construction of SARS-CoV-2 in Indonesia. J Pure Appl Microbiol. 2020; 14: 1035-1042. doi: 10.22207/JPAM.14.SPL1.42

Kharisma VD, Widyananda MH, Ansori ANM, Nege AS, Naw SW, Nugraha AP Tea catechin as antiviral agent via apoptosis agonist and triple inhibitor mechanism against HIV-1 infection: A bioinformatics approach. J Pharm Pharmacogn Res. 9(4): 435-445.

Ansori ANM, Kharishma VD, Muttaqin SS, Antonius Y, Parikesit AA. Genetic Variant of SARS-CoV-2 Isolates in Indonesia: Spike Glycoprotein Gene. J Pure Appl Microbiol. 2020; 14: 971-978. DOI: 10.22207/JPAM.14.SPL1.35

Widyananda MH, Pratama SK, Samoedra RS, Sari FN, Kharisma VD, Ansori ANM, Antonius Y. Molecular docking study of sea urchin (Arbacia lixula) peptides as multi-target inhibitor for non-small cell lung cancer (NSCLC) associated proteins. J Pharm Pharmacogn Res. 2021; 9(4): 484–496.

Kharisma VD, Ansori ANM. Construction of Epitope-Based Peptide Vaccine Against SARS-CoV-2: Immunoinformatics Study. J Pure Appl Microbiol. 2020; 14: 999-1005. DOI: 10.22207/JPAM.14.SPL1.38

Kharisma VD, Ansori ANM, Widyananda MH, Utami SL, Nugraha AP. Molecular simulation: The potency of conserved region on E6 HPV-16 as a binding target of black tea compounds against cervical cancer. Biochemical and Cellular Archives. 2020; 20: 2795-2802. DOI: 10.35124/bca.2020.20.S1.2795

Kharisma VD, Agatha A, Ansori ANM, Widyananda MH, Rizky WC, Dings TGA, Derkho M, Lykasova I, Antonius Y, Rosadi I, Zainul R. Herbal combination from Moringa oleifera Lam. and Curcuma longa L. as SARS-CoV-2 antiviral via dual inhibitor pathway: A viroinformatics approach. J Pharm Pharmacogn Res. 2022; 10(1): 138-146. DOI: 10.56499/jppres21.1174_10.1.138

Wijaya RM, Hafidzhah MA, Kharisma VD, Ansori ANM, Parikesit AP. COVID-19 In Silico Drug with Zingiber officinale Natural Product Compound Library Targeting the Mpro Protein. Makara J Sci. 2021; 25(3): 5. DOI: 10.7454/mss.v25i3.1244

Ansori ANM, Fadholly A, Kharisma VD, Nugraha AP. Therapeutic potential of avian paramyxovirus serotype 1 for cancer therapy. Biochemical and Cellular Archives. 2020;20:2827-2832. DOI: 10.35124/bca.2020.20.S1.2827

Prahasanti C, Nugraha AP, Kharisma VD, Ansori ANM, Ridwan RD, Putri TPS et al. Un enfoque bioinformático de la exploración con compuestos de hidroxiapatita y polimetilmetacrilato como biomaterial de implantes dentales. Journal of Pharmacy and Pharmacognosy Research. 2021; 9(5): 746-754.

Kharisma VD, Ansori ANM, Fadholly A, Sucipto TH. Molecular mechanism of caffeine-aspirin interaction in kopi balur 1 as anti-inflammatory agent: A computational study. Indian Journal of Forensic Medicine and Toxicology. 2020; 14(4): 4040-4046. DOI: 10.37506/ijfmt.v14i4.12274

Kharisma VD, Widodo N, Ansori ANM, Nugraha AP. A vaccine candidate of zika virus (ZIKV) from polyvalent conserved b-cell epitope on viral glycoprotein: In silico approach. Biochemical and Cellular Archives. 2020;20:2785-2793. DOI: 10.35124/bca.2020.20.S1.2785

Padmi H, Kharisma VD, Ansori ANM, Sibero MT, Widyananda MH, Ullah E, Gumenyuk O, Chylichcova S, Bratishko N, Prasedya ES, Sucipto TH, Zainul R. Macroalgae Bioactive Compounds for the Potential Antiviral of SARS-CoV-2: An In Silico Study. Journal of Pure and Applied Microbiology. 2022; 16(2): 1018-1027. DOI: 10.22207/JPAM.16.2.26

Antonius Y, Kharisma VD, Widyananda MH, Ansori ANM, Trinugroho JP, Ullah ME, Naw SW, Jakhmola V, Wahjudi M. Prediction of Aflatoxin-B1 (AFB1) Molecular Mechanism Network and Interaction to Oncoproteins Growth Factor in Hepatocellular Carcinoma. J Pure Appl Microbiol. 2022;16(3):1844-1854. doi: 10.22207/JPAM.16.3.29

Dibha AF, Wahyuningsih S, Ansori ANM, Kharisma VD, Widyananda MH, Parikesit AA, Sibero MT, Probojati RT, Murtadlo AAA, Trinugroho JP, Sucipto TH, Turista DDR, Rosadi I, Ullah ME, Jakhmola V, Zainul R. Utilization of Secondary Metabolites in Algae Kappaphycus alvarezii as a Breast Cancer Drug with a Computational Method. Pharmacognosy Journal. 2022; 14(3): 536-543. DOI: 10.5530/pj.2022.14.68

Młynarczyk K, Walkowiak-Tomczak D, Łysiak GP. Bioactive properties of Sambucus nigra L. as a functional ingredient for food and pharmaceutical industry. J Funct Foods. 2018; 40: 377-390. DOI: 10.1016/j.jff.2017.11.025.

Aini NS, Ansori ANM, Kharisma VD, Syadzha MF, Widyananda MH, Murtadlo AA, et al. Potential Roles of Purslane (Portulaca oleracea L.) as Antimetabolic Syndrome: A Review. Pharmacognosy Journal. 2022; 14(3): 710-714. DOI: 10.5530/pj.2022.14.90

Listiyani P, Kharisma VD, Ansori AN, Widyananda MH, Probojati RT, Murtadlo AA, et al. In Silico Phytochemical Compounds Screening of Allium sativum Targeting the Mpro of SARS-CoV-2. Pharmacognosy Journal. 2022; 14(3): 604-609. DOI: 10.5530/pj.2022.14.78

Aini NS, Kharisma VD, Widyananda MH, Murtadlo AA, Probojati RT, Turista DD, et al. In Silico Screening of Bioactive Compounds from Syzygium cumini L. and Moringa oleifera L. Against SARS-CoV-2 via Tetra Inhibitors. Pharmacognosy Journal. 2022;14(4):267-272. DOI: 10.5530/pj.2022.14.95

Aini NS, Kharisma VD, Widyananda MH, Murtadlo AA, Probojati RT, Turista DD, et al. Bioactive Compounds from Purslane (Portulaca oleracea L.) and Star Anise (Illicium verum Hook) as SARS-CoV-2 Antiviral Agent via Dual Inhibitor Mechanism: In Silico Approach. Pharmacognosy Journal. 2022;14(4):352-357. DOI: 10.5530/pj.2022.14.106

Ansori AN, Kharisma VD, Parikesit AA, Dian FA, Probojati RT, Rebezov M, Scherbakov P, Burkov P, Zhdanova G, Mikhalev A, Antonius Y, Pratama MRF, Sumantri NI, Sucipto TH, Zainul R. Bioactive Compounds from Mangosteen (Garcinia mangostana L.) as an Antiviral Agent via Dual Inhibitor Mechanism against SARS-CoV- 2: An In Silico Approach. Phcog J. 2022; 14(1): 85-90. DOI: 10.5530/pj.2022.14.12

Wicaksono A, Kharisma VD, Parikesit AA. New Perspectives on Reverse Translation: Brief History and Updates. Universitas Scientiarum. 2023; 28(1): 1-20.

Ningrum SG, R Sasmita, Kharisma VD. Edible Bird’s Nest as Potential Food with Anti-Viral and Anti-Inflammatory Properties Against Covid-19: an in Silico Study. 2023; 11(1): 43-50

Published

2023-06-30

How to Cite

Naw, S. W. ., Aini, N. S. ., Murtadlo, A. A. A. ., Tamam, M. B. ., Turista, D. D. R., & Ullah, M. E. (2023). Phytochemical Screening of Moringa oleifera as Antioxidant and Anticancer through Chemoinformatics Approach. SAINSTEK International Journal on Applied Science, Advanced Technology and Informatics, 2(01), 7–11. https://doi.org/10.24036/sainstek/vol2-iss01/19

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