Menara Perkebunan (Apr 2022)
Uji molecular docking dan bioinformatika terhadap meniran (Phyllanthus niruri L.) sebagai antivirus SARS-CoV-2 dan antikanker serviks
Abstract
The SARS-CoV-2 virus is a virus that emerged in late 2019 and has yet to find a cure. On the other hand, the incidence of cervical cancer in women continues to increase along with the emergence of cases of COVID-19 caused by SARS-CoV-2. Based on WHO data in 2020 stated that there were 107 per 72,314 cancer patients infected with SARS-CoV-2. Meniran (Phyllanthus niruri L.) is a herbaceous plant in Indonesia that has secondary metabolites derived from the tannin group, such as corilagin. This compound has the potential to be developed as an antiviral and anticancer agent. Thus, the purpose of this study was to determine the potential of corilagin in meniran herbs to act as an antiviral SARS-CoV-2 and cervical anticancer compared to the drug compounds molnupiravir and paclitaxel through the STITCH & STRING bioinformatics in silico test and molecular docking method. The results of the bioinformatics test of corilagin against the SARS-CoV-2 virus showed predictions of high protein binding to AGTR2 and ENPEP with a docking score of -10.9 and -9.9 kcal/mol, respectively. Meanwhile, cervical cancer cells showed the highest predicted protein binding to IL- 10 and MAPK3 with a docking score of -10.5 and - 10.8 kcal/mol. The docking score of molnupiravir against the COVID-19 virus protein, AGTR2, and ENPEP were -7.4 and -7.2 kcal/mol, respectively. The docking scores of paclitaxel for IL10 and MAPK3 were -8.2 and -8.9 kcal/mol, respectively. These values indicate that the activity of corilagin with proteins AGTR2, ENPEP, IL10, and MAPK3 has stronger affinity energy than the comparison drugs molnupiravir and paclitaxel. Thus, the corilagin compound from the tannin group in meniran (Phyllanthus niruri L.) has the potential to be developed and formulated as a treatment and prevention of SARS-CoV-2 antiviral and cervical anticancer.
Keywords
