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In silico study in toxicity parameters of Pigment Derivated Compounds of Monascus sp. mold as a cervical anti-cancer drugs candidate

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Pages 93-100


Toxicity prediction is very important for the development and design of new drugs because computational toxicity estimates are not only faster than the determination of toxic doses in animals, but can also help reduce the number of animal trials. The test uses pkCSM, Protox II, Toxtree, preADMET and T.E.S.T. From the results of research that has been carried out on 57 pigment derivated compounds of Monascus sp. mold, the results of the pkCSM application are 39 test compounds for the Protox-II application there is 1 compound, the Toxtree application produces 1 compound, for the PreADMET application 4 safe compounds are produced, and for the T.E.S.T application produces 1 compound because it fulfills one of the aspects of ICH (International Conference on Harmonization) S9: non-clinical evaluation for anticancer pharmaceutical 2010 and has the potential as a candidate for anticancer drugs.


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Siswandono.(2016).Kimia Medisinal.Surabaya. Airlangga University Press
Alja Plošnik , Marjan Vračko , and Marija Sollner Dolenc.(2016).Mutagenic and carcinogenic structural alerts and their mechanisms of action National Institute of Chemistry Slovenia1,Faculty of Pharmacy, University of Ljubaljana Ljubljana,Solvenia
BPOM RI.(2014). Peraturan Kepala Badan Pengawas Obat dan Makanan Republik Indonesia Nomor 7 Tahun 2014 Tentang Pedoman Uji Toksisitas Nonklinik Secara In vivo. Jakarta: BPOM
Greene, N., Dobo, K. L., Kenyon, M. O., Cheung, J., Munzner, J., Sobol, Z., et al. (2015). A practical application of two in silico systems for identification of potentially mutagenic impurities. Regul. Toxicol. Pharmacol. Bayer Health Care, Investigational Toxicology, Müllerstr. 178, 13353 Berlin,Jerman
Pavan Gautam K ., Ravindra Kumar G ., Sushmita B ., M.C Chattopadhyaya ., J.D Pandey. (2016). Heavy Metals In The Inveroment : Fate,Transport,Toxicity And Remediation Technology. University of Allahabad, India
Yuliana A, Singgih M, Julianti E, Blanc PJ. (2017). Derivates of azaphilone Monascus pigments. Biocatalysis and Agricultural Biotechnology, 9:183-194
Manan MA, Mohamad R, Ariff A.(2017). Monascus spp.: A source of Natural Microbial Color through Fungal Biofermentation. J Microbiol Exp
Mostafa, M.E., Abbady, Ma.(2014). Secondary metabolites and Bioactivity of the Monascus pigments review article. Glob. J. Biotechnol. Biochem.
Singgih, W., Julianti E.(2015). Food colorant from microorganisms. M.-T. Liong (ed.) Beneficial Microorganism in Food and Nutraceuticals, Microbiology Monographs 27
Singgih M., Benny, P., Selvira, A., Yuliana, A. (2019). Study In Silico Metabolit Sekunder Kapang Monascus sp. Sebagai Kandidat Obat Antikolesterol dan Antikanker. ALCHEMY Jurnal Penelitian Kimia, 15(1): 104-123.
Malchers, F., Ercanoglu M., Scutte D., Castiglione R., Tischler V., Michels S. (2017). Mechanisme of Primary Drug Resistance in FGFR1 Amplified Lung Cancer. Clin Cancer Res
Raies AB dan Bajic VB. (2016). In silico toxicology: computational methods for the prediction of chemical toxicity. WIREs Comput Mol Sci
Supandi, Yeni & Merdekawati F. (2018). In Silico Study of Pyrazolylaminoquinazoline Toxicity by Lazar, Protox, and Admet Predictor. Department of Pharmacy, Faculty of Pharmacy and Sciences, UHAMKA, Jakarta, 13460, Indonesia.
Hassan SF., Rashid U., Ansari FL., Ul-Haq Z. (2017).Bioisosteric Approach in Designing New Monastrol Derivatives: An Investigation on Their ADMET Prediction Using In Silico Derived Parameters. J Mol Graph Mode
Pires DEV, Blundell TL, Ascher DB. (2015). pkCSM Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures. Journal of Medicinal Chemistry
Saeed A, Rehman S, Channar PA, Larik FA, Abbas Q, Hassan M, Raza H, Flörke, U, Seo SY. (2017). Long chain 1-acyl-3-arylthioureas as jack bean urease inhibitors, synthesis, kinetic mechanism and molecular docking studies, Journal of the Taiwan Institute of Chemical Engineers
Ruswanto, Siswandono, Richa,M., Tita, N., Tresna, L.(2017). Molecular Docking of 1Benzoyl-3-methylthiourea as Anti Cancer Candidate and Its Absorption, Distribution, and Toxicity Prediction, Journal of Pharmaceutical Science and Research
Banerjee P., Andreas O., Eckert., Anna K., Schrey dan Robert Preissner.(2018). ProTox-II: a webserver for the prediction of toxicity of chemicals. Nucleic Acids Research
United Nation.(2019).A Guide to The Globally Harmonized System of Classification and Labeling of Chemicals (GHS).United Nation
El-Din, H. M. A., Loutfy, S. A., Fathy, N., Elberry, M.H, Mayla, A.M., Kassem, S., Naqvi, A. (2016). Molecular docking based screening of compounds against VP40 from Ebola virus. Bioinformation.
Supandi, Yeni & Merdekawati F.(2018).In silico toxicity prediction of 1-phenyl-1-(quinazolin-4-yl) ethanol compounds by using Toxtree, pkCSM and preADMET. Jakarta. Department of Pharmaceutical Chemistry.Universitas Muhammadiyah Prof. DR. HAMKA.
Narko Tedjo.,Benny Permana,Riska, Prasetiawati,Dang, Soni., Faridhatul Khairiyah.(2017). Molecular Docking Study Of Bulb Of Bawang Dayak (Eleutherine Palmifolia (L) Merr)Compound as Anti Servical Cancer. Bandung. Institut Teknologi Bandung
Lestari, T.(2015).Studi Interaksi Senyawa Turunan 1,3-Dibenzoiltiourea sebagai Ribonukleotida Reduktase Inhibitor. STIKes Bakti Tunas Husada Tasikmalaya.Tasikmalaya
Benigni, R., and Bossa, C. (2011). Mechanisms of Chemical Carcinogenicity and Mutagenicity: A Review with Implications for Predictive Toxicology,Chemical Reviews
Zhang, L., Ai, H., Chen, W., Yin, Z., Hu, H., Zhu, J., Zhao, J., Zhao, Q., Liu, H. (2017). CarcinoPred-EL: Novel models for predicting the carcinogenicity of chemicals using molecular fingerprints and ensemble learning methods, Scientific Reports. China. School of Life Science, Liaoning University
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How to Cite This

Rizkuloh, L. R., Pratita, A. T. K., Mediana, M., & Yuliana, A. (2021). In silico study in toxicity parameters of Pigment Derivated Compounds of Monascus sp. mold as a cervical anti-cancer drugs candidate. Jurnal Teknologi Laboratorium, 10(2), 93–100. https://doi.org/10.29238/teknolabjournal.v10i1.238

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