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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

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

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

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.

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

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.

Anticancer Synergy of Myricetin and Doxorubicin in Breast Cancer: Network Pharmacology and In Vitro Evaluation Mutiah, Roihatul; Ma'arif, Burhan; Inayah, Indah Rahmatul; Fitrianingsih, Avin Ainur
Majalah Obat Tradisional Vol 31, No 1 (2026)
Publisher : Faculty of Pharmacy, Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/mot.103080

Breast cancer is a major public health problem worldwide, leading to an urgent need for the development of new strategies to improve treatment efficacy and manage drug resistance. Doxorubicin is among the most commonly used chemotherapy drugs and has the disadvantage of being easy resistance and toxicity, which causes limited efficiency. A potentially effective strategy is combining doxorubicin with natural compounds possessing anticancer activity and the ability to modulate drug resistance pathways. Therefore, this study aimed to explore the potential of combining myricetin and doxorubicin as an effective and safe anticancer treatment. A network pharmacology method was used to examine how the two compounds interact at the molecular level, including the target genes, signaling pathways, and possible synergistic effect. Additionally, laboratory (in vitro) tests were performed using MTT assay to evaluate the toxicity of the compounds to both T47D breast cancer and normal Vero cells. Several key parameters, including IC50 values of each compound, as well as the combination index and selectivity index (SI), were analyzed to evaluate the safety against normal cells. The results showed that the combination of myricetin and doxorubicin targeted 19 interconnected genes triggering apoptosis often associated with cancer treatment. Laboratory tests (in vitro) found that myricetin and doxorubicin had moderate anticancer or cytotoxic activity, with IC50 values of 31.936 µg/mL and 27.39 µg/mL, respectively. The combination at concentrations of 7.984 µg/mL myricetin + 3.424 µg/mL doxorubicin, 15.986 µg/mL myricetin + 3.424 µg/mL doxorubicin, and 31.936 µg/mL myricetin + 3.424 µg/mL doxorubicin had a powerful synergistic effect as well as high viability in Vero cells with a value of 168.756 µg/mL. Based on the determined combination concentrations and IC50 values of the compounds, myricetin, and doxorubicin showed potential synergistic activity against breast cancer cells. Breast cancer remains a significant global health challenge, necessitating the development of novel strategies to enhance treatment efficacy and combat drug resistance. Doxorubicin, a common chemotherapeutic drug, has limitations owing to its resistance and toxicity. This study investigated the potential of combining myricetin, a natural compound, with doxorubicin to address these issues. Employing a network pharmacology approach, we first explored the molecular interactions between myricetin and doxorubicin and identified target genes, signaling pathways, and potential synergistic effects. Concurrently, in vitro experiments using the MTT assay assessed the toxicity of the compounds in T47D breast cancer cells and normal Vero cells. The key parameters analyzed included the IC50 values, combination index, and selectivity index to evaluate safety. Our findings revealed that the combination of myricetin and doxorubicin targeted 19 interconnected genes that are frequently associated with apoptosis during cancer treatment. In vitro tests showed that both myricetin and doxorubicin exhibited moderate cytotoxic activity, with IC50 values of 31.936 µg/mL and 27.39 µg/mL, respectively. Specific combinations (e.g., 7.984 µg/mL myricetin + 3.424 µg/mL doxorubicin) demonstrated a powerful synergistic effect against breast cancer cells, while maintaining high viability in normal Vero cells (168.756 µg/mL). These results suggested that the combination of myricetin and doxorubicin offers a promising synergistic approach for breast cancer treatment.

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