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In Silico Prediction of Isoliquiritigenin and Oxyresveratrol Compounds to BCL-2 dan VEGF-2 Receptors Mutiah, Roihatul; Hariz, Muhammad Fawaz; Indrawijaya, Yen Yen Ari; Ma'arif, Burhan
Indonesian Journal of Cancer Chemoprevention Vol 10, No 2 (2019)
Publisher : Indonesian Society for Cancer Chemoprevention

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14499/indonesianjcanchemoprev10iss2pp51-59

Abstract

Isoliquiritigenin and oxyresveratrol are compounds that have been reported to have anticancer activities. This study aimed to predict cytotoxic activity, toxicity and physicochemical properties of the compounds isoliquiritigenin and oxyresveratrol. Prediction of physicochemical properties referred to Lipinski rules of five using the pkCSM online tool. Prediction of compounds toxicity using Protox II online tool while ligand interaction with receptors using Molegro Virtual Docker (MVD). Vascular Endothelial Growth Factor Receptor-2 (VEGFR-2) (PDB: 2RL5) and B Cell Lymphoma BCL-2 (PDB: 4AQ3) were used as target cancer receptor proteins. In silico predictive results showed that oxyresveratrol and isoliquiritigenin complied with Lipinski rules of five, predictive values of LD50 between 500-2000 mg/kg respectively 1560 mg/kg and 1048 mg/kg. The docking result was in the form of bound energy described by Rerank Score (RS). A compound having a small RS value was predicted to have greater activity. RS of oxyresveratrol on 2RL5: -73.0413 and 4AQ3: -87.9985, while isoliquiritigenin on 2RL5: -68.0282 and 4AQ3: -78.5041. The cytotoxic activity of oxyresveratrol was also shown by hydrogen bonds in active amino acids (2RL5: Cys 919 in 4AQ3: Tyr 67). From docking results of both compounds, oxyreveratrol had greater activity than isoliquiritigenin to both target cancer receptor proteins and complied Lipinski rules of five and have a low toxicity.Keywords: cytotoxicity, toxicity, isoliquiritigenin, oxyresveratrol, in silico.
SOSIALISASI DAN EDUKASI DAGUSIBU PADA KELOMPOK IBU RUMAH TANGGA DI KECAMATAN DAU Maulina, Novia; Hakim, Abdul; Fitriyani, Fitriyani; Ma'arif, Burhan
Jurnal Pengabdian Pendidikan Masyarakat (JPPM) Vol 4 No 1 (2023): Jurnal Pengabdian Pendidikan Masyarakat (JPPM)
Publisher : LPPM UNIVERSITAS MUHAMMADIYAH MUARA BUNGO

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.52060/jppm.v4i1.1056

Abstract

Health promotion is the process by which a community makes efforts to improve its ability to optimize the factors that affect health. In addition to positive impacts, advances in science and technology in the pharmaceutical industry also have negative impacts, one of which is obtaining, using, storing, and disposing of drugs in the wrong way. “Dapatkan, Gunakan, Simpan, Buang” (DAGUSIBU) is a Drug Awareness Family Movement initiated by the Indonesian Pharmacists Association (IAI) in an effort to provide public understanding and awareness of the correct use of drugs. This community service was carried out with the aim of socializing and educating the housewives' community group in Dau sub-district, Malang Regency, about DAGUSIBU. The method used is quantitative with a quasi-experimental design with a one-group pretest and posttest with active and participatory learning methods through door-to-door socialization activities with media leaflets. The results show that most respondents are aged 31–35 years (23.8%), and the distribution of DAGUSIBU drug knowledge among respondents has increased by 66.6% after socialization and education activities.
ADMET Prediction of the Dominant Compound from Mangosteen (Garcinia mangostana L.) using pkCSM: A Computational Approach Muslikh, Faisal Akhmal; Kurniawati, Evi; Ma'arif, Burhan; Zenmas, Syendriva Zeptyan; Salmasfattah, Novyananda; Dhafin, Anis Akhwan; Prasetyawan, Fendy
International Journal of Contemporary Sciences (IJCS) Vol. 1 No. 1 (2023): November 2023
Publisher : PT FORMOSA CENDEKIA GLOBAL

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.55927/ijcs.v1i1.7271

Abstract

Mangosteen (Garcinia mangostana L.) is a plant belonging to the Guttiferae family with origins in Southeast Asia. The primary components in mangosteen peel consist of xanthones, particularly α-mangostin, which displays diverse pharmacological effects such as anti-diabetic properties, antioxidant activity, and anti-inflammatory effects. However, due to the insufficient information regarding studies on pharmacokinetics (administration, distribution, metabolism, excretion, and toxicity), the objective of this investigation is to explore pharmacokinetic predictions utilizing the pkCSM web tool. The α-mangostin compound, acquired from PubChem accessible at https://pubchem.ncbi.nlm.nih.gov/, underwent pharmacokinetic analysis using the web tool available at https://biosig.lab.uq.edu.au/pkcsm/prediction. The study findings revealed that the α-mangostin compound, subjected to pharmacokinetic analysis with pkCSM, exhibited limited distribution capability.