Nuha Haifa Arifin’s research while affiliated with Muhammadiyah University of Yogyakarta and other places

The COVID-19 pandemic has highlighted the need for innovation and the development of antiviral agents. One plant with potential antiviral properties is the date palm (Phoenix dactylifera). However, research on the antiviral activity of dates against SARS-CoV-2 is limited. This study aims to assess the antiviral potential of compounds found in date palm fruit using a molecular docking method. Specifically, we compare these compounds to the antiviral drugs ritonavir and nirmatrelvir in their ability to inhibit SARS-CoV-2 proteins. The molecular docking analysis was conducted using various tools and software, including Autodock Vina, DS Visualizer, Autodock Tools, Python, and Marvin Sketch. The results of the study indicate that compounds such as apigenin, diosmetin, and luteolin have strong potential as antiviral agents. The binding affinity of apigenin in date fruit with various SARS-CoV-2 proteins is as follows: -7.6 kcal/mol for 3CL-Pro, -8.7 kcal/mol for Nsp3, -5.7 kcal/mol for PD-ACE-2, and -7.0 kcal/mol for RBD-S. Diosmetin exhibits similar binding affinities with these proteins: -6.7 kcal/mol, -8.5 kcal/mol, -5.6 kcal/mol, and -7.2 kcal/mol, respectively. Luteolin also shows strong binding affinities: -7.9 kcal/mol, -8.6 kcal/mol, -5.7 kcal/mol, and -7.3 kcal/mol. In comparison, nirmatrelvir achieved docking scores of -7.2 kcal/mol, -7.5 kcal/mol, -5.1 kcal/mol, and -6.3 kcal/mol with the same proteins, while ritonavir scored -7.0 kcal/mol, -8.2 kcal/mol, -5.6 kcal/mol, and -6.7 kcal/mol, respectively. Apigenin, diosmetin, and luteolin demonstrate stronger potential than nirmatrelvir and ritonavir, as evidenced by their lower docking scores when compared to these drugs.

Cervical cancer is one of the most common cancer suffered in women. Chemotherapy usage often causes physical and psychological side effects in patients. This study aims to determine the antioxidant and cytotoxic effects of the ethyl acetate fraction of melinjo seeds (Gnetum gnemon L.) on HeLa cervical cancer cells through in vitro and in silico assays. Melinjo seed was extracted by maceration using ethanol 70% and fractionated with ethyl acetate to obtain the Ethyl Acetate Fraction of Melinjo Seed (EAFMS). The identification of the active compounds group was done using Thin Layer Chromatography (TLC) method. In vitro studies were conducted on antioxidant tests using the 2,2-diphenyl-1-picrylhydrazyl (DPPH) method and cytotoxic activity test using 3-(4, 5-dimethylthiazolyl-2)-2, 5-diphenyltetrazolium bromide (MTT) Assay. In silico test for molecular docking analyzed by Autodock Vina method. The TLC analysis of EAFMS showed the presence of the stilbenoid compounds group. The antioxidant activity of EAFMS is weak, with an IC50 value of 175.8 g/ml. Cytotoxic activity of EAFMS is categorized as toxic to HeLa cancer cells with an IC50 value of 21.69 g/ml, while EAFMS has a synergistic effect combined with doxorubicin as a standard drug with a combination index (CI) value of 0.24-0.80. A molecular docking test of gnetin C with VHR receptor found a strong and stable bond with a docking score of -8.3 kcal/mol. Thus, EAFMS has the potential to be used as a chemopreventive agent for cervical cancer and can be combined with doxorubicin.

Cancer deaths increase every year, including in Indonesia. The low selectivity of chemotherapy agents and the resistance of cancer cells against chemotherapy agents is the main cause of chemotherapy treatment failure. It causes serious side effects in sufferers. Beside that, plants produce secondary metabolites which are being investigated for the anticancer activity that is used as new clinical drugs. Therefore we need research that uses plants as co-chemotherapy agents. Melinjo seeds (Gnetum gnemon L.) contain gnetin C has the potential to apoptosis WiDr colon cancer cells. The purpose of this study was to determine the potential of Ethanol Fraction Melinjo Seed (EFMS) as a co-chemotherapy agent for colon cancer. The sample was maceration using 70% ethanol and fractionated with ethanol. Phytochemical screening with thin layer chromatography (TLC)-Densitometry, antioxidant test used the DPPH, while the cytotoxic activity of WiDr colon cancer cells and their combination with 5-Fluorouracil chemotherapy agent using the 3-(4,-5-dimethylthiazo-2-yl)-2,5-diphenyltetrazolium bromide (MTT) Assay, and also in silico test used molecular docking between gnetin C on EFMS and IKK and COX-2 proteins with the 5-FU. The results showed that EFMS contains gnetin C based on Rf value, has weak antioxidant activity with IC50 1227 μg/mL, weak cytotoxic activity in WiDr colon cancer cells with IC50 681 μg/mL and has combined activity synergistic with 5-Fluorouracil. Molecular docking showed gnetin C strong binding affinity against IKK and COX-2 proteins with scores -12.2 kcal/mol and -9.6 kcal/mol. The result concludes that EFMS has the potential to inhibit the development of cancer cells, especially WiDr colon cancer cells.Keywords: Gnetum gnemon L., Colon Cancer, Cytotoxic, Molecular docking, WiDr.

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.