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All Journal Journal of Tropical Life Science : International Journal of Theoretical, Experimental, and Applied Life Sciences Journal of Islamic Studies and Humanities Isamic Communication Journal Religious: Jurnal Studi Agama-Agama dan Lintas Budaya Jurnal Aplikasi Teknik Sipil Jurnal Manajemen Aset Infrastruktur dan Fasilitas GEMA EKONOMI Jurnal Ilmu Dakwah JSMARTech : Journal of Smart Bioprospecting and Technology Jurnal Pengabdian kepada Masyarakat Nusantara Journal La Sociale Journal La Multiapp Jurnal Impresi Indonesia SENTRI: Jurnal Riset Ilmiah Sewagati Ranah Research : Journal of Multidisciplinary Research and Development Journal of Management, Economic, and Financial Jurnal Dakwah dan Komunikasi Islam
Farida Rachmawati, Farida
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Religion Aerospace Engineering Agriculture, Biological Sciences & Forestry Arts Humanities Automotive Engineering Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Civil Engineering, Building, Construction & Architecture Computer Science & IT Control & Systems Engineering Decision Sciences, Operations Research & Management Economics, Econometrics & Finance Education Engineering Environmental Science Languange, Linguistic, Communication & Media Law, Crime, Criminology & Criminal Justice Library & Information Science Materials Science & Nanotechnology Mathematics Medicine & Pharmacology Neuroscience Public Health Social Sciences Transportation Other

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Journal : JSMARTech : Journal of Smart Bioprospecting and Technology

 1 
VIRTUAL PREDICTION OF THYMOQUINONE AND β-GLUCAN INTERACTION AS ESTROGEN RECEPTOR-ALPHA (ER-α RECEPTOR) MAY REDUCING ON THE BREAST CANCER SIGNALING PATHWAY Rachmawati, Farida; Zaidah, Laili Nur; Mardhiyah, Rihadatul Aisy; Fatchiyah, Fatchiyah
JSMARTech: Journal of Smart Bioprospecting and Technology Vol 1, No 1 (2019)
Publisher : JSMARTech

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (469.081 KB) | DOI: 10.21776/ub.jsmartech.2019.001.01.1

Abstract

Many cases of chemical drug treatment in breast cancer patients result in a negative impact on drug resistance. Therefore the use of natural compounds such as ?-glucan on ajwa dates and thymoquinone on black cumin was expected to stop the process of cancer cell proliferation and to consume in long-term safety. This study aimed to predict the effect of thymoquinone and ?-glucan in reducing breast cancer cascade with molecular docking. This research was carried out in silico. The ligand and protein preparations were done using Discovery Studio 2016. We used Hex 8.0.0 for docking. Visualization was established using Discovery Studio 2016 as well. The results showed that thymoquinone and ?-glucan can undergo conformational changes in ligand binding domain (LBD) of ER-? receptor. The interaction between ER-? receptor with ?-estradiol (inhibited by thymoquinone-?-glucan) was suggested to be the best solution in downregulating breast cancer signaling pathway. This interaction showed more stable conformation with the smallest binding energy (-332,84 kcal/mol). The thymoquinone-?-glucan complex could block the His476 and Met438.
Dual Inhibition of PTP1B and DPP4 by Canavalia ensiformis Bioactive Compounds: A Synergy of Nutrition and Therapeutics Purwanti, Elly; Rachmawati, Farida; Hasan, Aso Hameed; Nuryady, Mohamad Mirza; Permana, Tutut Indria; Prihanta, Wahyu
JSMARTech: Journal of Smart Bioprospecting and Technology Vol. 6 No. 2 (2025): Vol. 6 No. 2 (2025): JSMARTech Volume 6, No 2, 2025
Publisher : JSMARTech

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.21776/ub.jsmartech.2025.006.02.23

Abstract

Diabetes mellitus affects over 460 million adults worldwide and is projected to rise further, underscoring the urgency for safe, nutrition-based strategies to improve glycaemic control. Legumes have been known for dietary intervention for diabetic patients. However, studies evaluating the functional properties of Canavalia ensiformis for diabetes management are limited. This study investigated C. ensiformis beans for their nutritional profile and therapeutic potential in diabetes management. Nutritional values were analyzed by proximate and Inductively Coupled Plasma-Optical Emission Spectroscopy (ICP-OES), while bioactive compounds were identified by untargeted metabolite profiling using Liquid Chromatography-High Resolution Mass Spectrometry (LC-HRMS). Anti-diabetic potential of identified bioactives was evaluated through molecular docking by using AutoDock Vina against dipeptidyl peptidase-4 (DPP4) and protein tyrosine phosphatase 1B (PTP1B) as known diabetic-associated enzymes. Nutritional analysis revealed a composition rich in crude protein (26.34%) and carbohydrates (54.84%), complemented by substantial mineral content, including calcium, iron, and zinc, which collectively support metabolic and physiological functions. Phytochemical profiling identified 22 bioactive compounds, such as flavonoids (e.g., Kaempferol), phenolic derivatives (e.g., Curcumin), and amino acids (e.g., DL-Tryptophan), known for their roles in oxidative stress reduction and glucose metabolism modulation. Molecular docking studies demonstrated that Kaempferol exhibiting binding affinities of − 7.7 kcal mol⁻¹ (DPP4) and − 7.5 kcal mol⁻¹ (PTP1B), while DL-Tryptophan showed comparable interactions. These ligands occupied the catalytic pockets of both enzymes and engaged key residues, mirroring the binding patterns of native ligands, indicating competitive inhibition that may enhance insulin signalling and prolong incretin action. The dual-target inhibition of PTP1B and DPP4, coupled with the bean’s high nutritional value, positions C. ensiformis as a promising functional food for diabetes management, merging dietary benefits with therapeutic potential.   Keywords: Functional food, Diabetes Mellitus, Dietary Intervention, DPP4 inhibitor, PTP1B inhibitor.
Co-Authors Abu Rokhmad Adeni, Adeni Alifa Nur Fitri Andini, Wira Aniqurrohmah, Aniqurrohmah Ansori, Fakhrudin Naufal Arif Rohman, M. Aris Soewondo Aryanto, Bambang Dwi Ato’urrahman, Muhammad Buyang, Brian Y Cahyono Bintang Nurcahyo Christiono Utomo Dwi Wicaksono, Kunto Dwini Teras, Angelina Elly Purwanti Ervina Ahyudanari fatchiyah . Fathiyya, Husnul Febriana, Estiningtyas Reski Fitri Fitri Hasan, Aso Hameed I Putu Artama Wiguna Ilyas Supena Indriyani, Retno M. Arif Rohman Machsus Machsus Mardhiyah, Rihadatul Aisy Maulidza, Giska Mustofa Hilmi Nadia, Isma Qotrun Nur Fitri, Alifa Nuryadi, Fredy Nuryady, Mohamad Mirza Putri, Yusronia Eka R.S., Nurkarimah Qodarotin Retno Indryani Rifa'i, Muhaimin Rohman, Mohammad Arif Roosdiawan, Pramudito Muhammad Reza Sakti, Muhammad Wisam Wira Sakti, Sefihara Paramitha Samudra, Salsadila Audiary Sari, Fikriya Novita Silvia Riskha Fabriar Solikhati, Siti SRI RAHAYU Sri Rahayu, Yayuk Sri Widyarti Sulaiman Sulaiman Syayidah Fitria Lulu’ Aniqurrohmah Tri Joko Wahyu Adi Trisnadewi, Hana Tutut Indria Permana Wahyu Prihanta Waliulu, Yusroniya Eka Putri Rachman Wicaksono, Anggito Adji Yanti, Sonia Indah Nor YOGA DWI JATMIKO Zaidah, Laili Nur