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Potency Of Andrographolide, L-Mimosine And Asiaticoside Compound As Antiviral For Covid-19 Based On In Silico Method
Corresponding Author(s) : Rifki Febriansah
Proceedings University of Muhammadiyah Yogyakarta Undergraduate Conference,
Vol. 2 No. 2 (2022): Strengthening Youth Potential for Sustainable Innovation
Abstract
Introduction - COVID-19 is an infectious disease that is a global challenge, making it necessary for innovation and the development of antiviral agents in prevention and treatment efforts. Indonesia is known as a country rich in potential plants as medicine, a potential antiviral plant among them Andrographis paniculata , Mimosa pudica and Centella asiatica. The compound that have antiviral activity in each of these plants are andrographolide (Andrographis paniculata), L-mimosine (Mimosa pudica) and asiaticoside (Centella asiatica). The purpose of this study is to identify the potential of the andrographolide, l-mimosine and asiaticoside to inhibit SARS COV-2 protein and to predict the molecular drug profile which refers to lipinski's rule of 5.
Purpose - The purpose of this study was to determine the potential of Andrographis paniculata , Mimosa pudica and Centella asiatica compounds in inhibiting the SARS CoV-2 protein and to determine the prediction of drug profiles such as molecules referring to Lipinski's rule of 5.
Methodology - The methods used in this research by molecular docking and lipinski's Ro5 using PKCSM. The control compounds used are favipiravir and remdesivir.
Results - The results of the affinity of target protein bonds using molecular docking obtained the best results in NSP3 proteins with An Asiaticoside docking score of -10.1 kcal / mol stronger than favipiravir -5.3 kcal/mol and remdesivir -8.6 kcal/mol. As for the compounds L-mimosine -6.1 kcal / mol and Andrographolide -7.7 kcal / mol. The compounds of andrographolide and L-mimosine showed good results and met the 5 aspects of Lipinski's Ro5, but asiaticoside compounds did not good enough. .
Conclusion - The Research has concluded that the compound of the Andrographis paniculata , Mimosa pudica and Centella asiatica have a good potential in inhibiting SARS cov2 protein that is stronger than favipiravir and almost the same with remdesivir activity.
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- Astuti, I. &. (2020). Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2): An overview of viral structure and host response. Diabetes and Metabolic Syndrome: Clinical Research and Reviews. 14(4):407-412.
- Chen, N. Z. (2020). Epidimiological and clinical characteristics of 99 cases of 2019 novel coronavirus pneumonia in Wuhan, China: a descriptive study. Lancet, 395(10223):507-513.doi:https://doi.org/;10.1016/S0140-6736(20)30211-7.
- Dai, Y. C. (2019). Overview of pharmacological activities od Androgaphis paniculata and its major compound andrographolide. Crit Rev Food Sci Nutr, 59(sup1:S17-S29.
- Dany. P., L. J. (2013). Stellar Superfluids. Inspire, INT-PUB-009.
- Docherty AB, H. E. (2020). Features of 2013 UK Patients in Hospital with COVID-19 Using the ISARIC WHO Clinical Characterisation Protocol: Prospective Observational Cohort Study. BMJ, 2(369):1-2.
- Dona, R. F. (2019). Studi In Silico, Sintesis, dan Uji Sitotoksik Senyawa P-Metoksi Kalkon terhadap Sel Kanker Payudara MCF-7. J Sains Farm Klin, 6(3):243.
- Glowacki ED, V. M. (2013). Hydrogen-bonds in molecular solids-from biological systems to organic electronics. J Mater Chem, 1:3742-3753.
- Gupta, S. M. (2017). Broad-spectrum antiviral properties of andrograpolide. Arch Virol, 162(3):611-623.
- Hardjono, S. (2013). Sintesis dan Uji Aktivitas Antikanker Senyawa 1-(2-Klorobenzoiloksi)urea dan 1-(4-klorobenzoiloksi)urea. Berk Ilm Kim Farm, 2(1):1.
- Jessen, F. (2007). Introduction to Computational Chemistry 2nd Ed.
- Malayan, J. S. (2013). Anti-mumps virus activity by extracts of Mimosa pudica, a unique Indian medicinal plant. Indian J Virol, 24(2):166-173.doi:https://doi.org/10.1007/s13337-013-0143-2.
- Ruswanto. (2015). Molecular docking empat turunan isonicotino hydrazide pada mycobacterium tuberculosis enoyl-acyl carrier protein reductase (InhA). Vol13,No.
- Shah, B. M. (2020). Epidemiological and clinical characteristics of 99 cases of 2019 novel coronavirus pneumonia in Wuhan, China: a descriptive stud. Lancet, 395(102223):5017-513.doi:https://doi.org/10.1016/S0140-6736(20)30211-7.
- Susilo, A. O. (2021). TINJAUAN PUSTAKA Review of Current Literatures. J Penyakit Dalam Indonesia, 9(1).
- Thanigaivel, S. D. (2014). Comparative evaluation of the anti-Hepatitis B virus activity of Centella asiatica and Camellia sinensis (green tea). BMC Infect Dis, 14(S3).doi:https://doi.org/10.1186/1471-2334-14-s3-p21.
- Yu, e. a. (2016). Angiotensin-(1-5), an active mediator of renin-angiotensin system, stimulates ANP secretion via Mas receptor. Peptides, 09.009.
References
Astuti, I. &. (2020). Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2): An overview of viral structure and host response. Diabetes and Metabolic Syndrome: Clinical Research and Reviews. 14(4):407-412.
Chen, N. Z. (2020). Epidimiological and clinical characteristics of 99 cases of 2019 novel coronavirus pneumonia in Wuhan, China: a descriptive study. Lancet, 395(10223):507-513.doi:https://doi.org/;10.1016/S0140-6736(20)30211-7.
Dai, Y. C. (2019). Overview of pharmacological activities od Androgaphis paniculata and its major compound andrographolide. Crit Rev Food Sci Nutr, 59(sup1:S17-S29.
Dany. P., L. J. (2013). Stellar Superfluids. Inspire, INT-PUB-009.
Docherty AB, H. E. (2020). Features of 2013 UK Patients in Hospital with COVID-19 Using the ISARIC WHO Clinical Characterisation Protocol: Prospective Observational Cohort Study. BMJ, 2(369):1-2.
Dona, R. F. (2019). Studi In Silico, Sintesis, dan Uji Sitotoksik Senyawa P-Metoksi Kalkon terhadap Sel Kanker Payudara MCF-7. J Sains Farm Klin, 6(3):243.
Glowacki ED, V. M. (2013). Hydrogen-bonds in molecular solids-from biological systems to organic electronics. J Mater Chem, 1:3742-3753.
Gupta, S. M. (2017). Broad-spectrum antiviral properties of andrograpolide. Arch Virol, 162(3):611-623.
Hardjono, S. (2013). Sintesis dan Uji Aktivitas Antikanker Senyawa 1-(2-Klorobenzoiloksi)urea dan 1-(4-klorobenzoiloksi)urea. Berk Ilm Kim Farm, 2(1):1.
Jessen, F. (2007). Introduction to Computational Chemistry 2nd Ed.
Malayan, J. S. (2013). Anti-mumps virus activity by extracts of Mimosa pudica, a unique Indian medicinal plant. Indian J Virol, 24(2):166-173.doi:https://doi.org/10.1007/s13337-013-0143-2.
Ruswanto. (2015). Molecular docking empat turunan isonicotino hydrazide pada mycobacterium tuberculosis enoyl-acyl carrier protein reductase (InhA). Vol13,No.
Shah, B. M. (2020). Epidemiological and clinical characteristics of 99 cases of 2019 novel coronavirus pneumonia in Wuhan, China: a descriptive stud. Lancet, 395(102223):5017-513.doi:https://doi.org/10.1016/S0140-6736(20)30211-7.
Susilo, A. O. (2021). TINJAUAN PUSTAKA Review of Current Literatures. J Penyakit Dalam Indonesia, 9(1).
Thanigaivel, S. D. (2014). Comparative evaluation of the anti-Hepatitis B virus activity of Centella asiatica and Camellia sinensis (green tea). BMC Infect Dis, 14(S3).doi:https://doi.org/10.1186/1471-2334-14-s3-p21.
Yu, e. a. (2016). Angiotensin-(1-5), an active mediator of renin-angiotensin system, stimulates ANP secretion via Mas receptor. Peptides, 09.009.