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All Journal Jurnal Kedokteran Brawijaya Alchemy : Journal of Chemistry Indonesian Journal of Cancer Chemoprevention Journal of Islamic Pharmacy Majalah Kesehatan FKUB Journal of Islamic Medicine
Muti'ah, Roihatul
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Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Energy Immunology & microbiology Materials Science & Nanotechnology Medicine & Pharmacology Public Health

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Journal : Indonesian Journal of Cancer Chemoprevention

 1 
Antiviral Activitiy of Curcumin, Demethoxycurcumin, Bisdemethoxycurcumin and Cyclocurcumin compounds of Curcuma longa against NSP3 on SARS-CoV-2 Hidayah, Rizka Nurul; Nafisa, Belia Bima; 'Arifin, Miftah Saiful; Santosaningsih, Dewi; Muti'ah, Roihatul
Indonesian Journal of Cancer Chemoprevention Vol 13, No 3 (2022)
Publisher : Indonesian Society for Cancer Chemoprevention

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14499/indonesianjcanchemoprev13iss3pp166-174

Abstract

SARS-CoV-2 genome encodes two large polyproteins (pp), pp1a and pp1ab which are cleaved and transformed into a mature form by a protease, non-structural protein 3 (NSP3). NSP3 is encoded by open reading frame (ORF) 1a/b. Curcuma longa (C. longa) or turmeric has been documented to have antiviral effects. The aim of this study was to assess the viral activities of C. longa against SARS-CoV-2 focusing on its potency to inhibit viral replication by targeting NSP3. PubChem databases were used to obtain the metabolic profile of C. longa. The compound's interaction with nucleocapsid was analyzed using molecular docking with Molegro Virtual Docker. Bioinformatics analysis based on rerank score presents all compounds of C. longa have higher binding affinity than the native ligand with cyclocurcumin as the lowest score (-128.38 kcal/mol). This anti-viral activity was hypothesized from the similarity of hydrogen bonds with amino acid residues Ser 128 and Asn 40 as key residues present in Ribavirin. This study reveals that C. longa is the potential to be developed as an antiviral agent through replication inhibition in SARS-CoV-2 targeting its replication mediated by NSP3.Keywords: C. longa, Non-Structural Protein 3, COVID-19.
In Silico Prediction of The Antiangiogenesis Activity of Heliannuol Lactone sesquiterpenes Compounds from Sunflower (Heliannthus annuus L.) Muti'ah, Roihatul; Rahmawati, Eka Kartini; Dewi, Tanaya Jati Dhrama; Firdausy, Alif Firman
Indonesian Journal of Cancer Chemoprevention Vol 12, No 2 (2021)
Publisher : Indonesian Society for Cancer Chemoprevention

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14499/indonesianjcanchemoprev12iss2pp90-98

Abstract

Heliannuols are sesquiterpenes lactone compounds considered to have anticancer activity on the brain cancer. Cancer cell growth is related to overexpression of Vascular Endothelial Growth Factor Receptor-2 (VEGFR-2) as a pro-angiogenic pathway, which becomes the main factor of angiogenesis and progression. This research aims to predict anti-angiogenic, toxicity, and physicochemical properties of heliannuols. Physicochemical properties were predicted referred to Lipinski’s rule of five (Lipinski RO5), while absorption, distribution, metabolism, and excretion were predicted by using pkCSM online tool. The toxicity of compounds was predicted by using Protox II online tool, and interaction of the ligand with receptors was predicted by conducting validation (VEGFR-2 (PDB ID: 3WZE)) and molecular docking using Molegro Virtual Docker (MVD). The result revealed that Lipinski RO5 compatible heliannuols had the lowest LD50 2148 mg/kg predictive LD50 predictive values of heliannuol D. The docking result was described by rerank score (RS), representing the bound energy form and compares with Sorafenib as a reference drug. Five medium strength VEGFR-2 chemical substances with rerank score: heliannuol A -56.9496, heliannuol heliannuol B -70.83646, heliannuol C -61,3292, heliannuol D -49.61646, and heliannuol E -75.5164. No better rerank score was recorded for all inhibitors than sorafenib (-128.0683). The heliannuols interacted with amino acid residues Glu885 and Asp1046 that probably conferred the antiangiogenic activity. Taken together, heliannuol D had the greates activity to the target protein and complied Lipinski RO5.Keywords: anti-angiogenic, toxicity, heliannuol, VEGFR-2, brain cancer, molecular docking.
Potential Inhibition of Melaleuca leucadendron L. Compounds Against the NSP5 SARS CoV-2 Protein Melani, Ira Resmi; Wafi, Muhammad Farid; Riandinata, Mohammad Reza; Halim, Putri Aulawiya Rosyida; Muti'ah, Roihatul; Santosaningsih, Dewi
Indonesian Journal of Cancer Chemoprevention Vol 13, No 3 (2022)
Publisher : Indonesian Society for Cancer Chemoprevention

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14499/indonesianjcanchemoprev13iss3pp195-206

Abstract

COVID-19 is an infectious disease caused by Severe Acute Respiratory Syndrome (SARS-CoV-2), causing a global health emergency as a pandemic disease. The lack of certain drug molecules or treatment strategies to fight this disease makes it worse. Therefore, effective drug molecules are needed to fight COVID-19. Non Structural Protein (NSP5) or called Main Protease (Mpro) of SARS CoV 2, a key component of this viral replication, is considered a key target for anti-COVID-19 drug development. The purpose of this study is to determine whether the compounds in the Melaleuca leucadendron L. plant such as 1,8-cineole, terpene, guaiol, linalol, α-selinenol, β-eudesmol and γ-eudesmol are predicted to have antiviral activity for COVID-19. Interaction of compounds with NSP5 with PDB code 6WNP analyzed using molecular docking with Molegro Virtual Docker. Based on binding affinity, the highest potential as an anti-viral is Terpineol with binding energy (-119.743 kcal/mol). The results of the interaction showed that terpinol has similarities in all three amino acid residues namely Cys 145, Gly 143, and Glu 166 with remdesivir and native ligand. Melaleuca leucadendron L. may represent a potential herbal treatment to act as: COVID-19 NSP5, however these findings must be validated in vitro and in vivo.Keywords: COVID-19, In Silico, NSP5/ 6WNP, Melaleuca leucadendron L.
Co-Authors 'Arifin, Miftah Saiful A. Ghanaim Fasya A.A. Ketut Agung Cahyawan W Ach. Nashichuddin Alfi Istiqomah, Alfi Anik Listiyana Arief Suryadinata Begum Fauziyah Datin An Nisa Sukmawati Dewi Santosaningsih Dewi, Tanaya Jati Dhrama Dorta Simamora Elok Kamilah Hayati Eny Yulianti, Eny Fadhilatul Ismiyah, Fadhilatul Firdausy, Alif Firman Halim, Putri Aulawiya Rosyida Hidayah, Rizka Nurul Ifaridatul Chusna, Ifaridatul Karawid, Galih Elsy Loeki Enggar Fitri Luky Adrianto Ma'arif, Burhan Melani, Ira Resmi Nafisa, Belia Bima Purwoko, Agus Rahmawati, Eka Kartini Rahmi Annisa Riandinata, Mohammad Reza Soemarko Soemarko Umami, Zahra Wafi, Muhammad Farid Yani Triastutik, Yani