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All Journal Jurnal Ilmiah Farmasi JURNAL KIMIA SAINS DAN APLIKASI Pharmaciana: Jurnal Kefarmasian Media Farmasi : Jurnal Ilmu Farmasi (Journal Of Pharmaceutical Science) Biogenesis: Jurnal Ilmiah Biologi al-Kimiya Journal of Biomedicine and Translational Research The Journal of Pure and Applied Chemistry Research Jurnal Riset Kimia Pharmacon JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA Jurnal Farmasi Galenika (Galenika Journal of Pharmacy) Jurnal Biodjati ALCHEMY Jurnal Penelitian Kimia BIOEDUSCIENCE Majalah Farmasi dan Farmakologi (Trends in Pharmacy and Pharmaceutical Sciences) JSFK (Jurnal Sains Farmasi & Klinis) Jurnal Inovasi Hasil Pengabdian Masyarakat (JIPEMAS) Journal of Tropical Pharmacy and Chemistry Molekul: Jurnal Ilmiah Kimia Jurnal Ilmiah Farmasi Farmasyifa Poltekita: Jurnal Pengabdian Masyarakat Pharmaceutical Sciences and Research (PSR) Makara Journal of Science Bandung Conference Series: Pharmacy Borneo Journal of Pharmacy

Taufik Muhammad Fakih

Department Of Pharmacy, Faculty Of Mathematics And Natural Sciences, Universitas Islam Bandung, Bandung, 40116|Universitas Islam Bandung|Indonesia

Author-ID : 1562230

Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Earth & Planetary Sciences Education Energy Engineering Environmental Science Health Professions Immunology & microbiology Materials Science & Nanotechnology Medicine & Pharmacology Nursing Public Health Other

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Computational Study of Scorpion Venom (Lychas Mucronatus) Activity as Antimicrobial Peptides (AMPs) to the SARS-CoV-2 Main Protease for the Future Coronavirus Disease (COVID-19) Inhibitors Taufik Muhammad Fakih
Molekul Vol 16, No 2 (2021)
Publisher : Universitas Jenderal Soedirman

The 2019 coronavirus pandemic disease (COVID-19) is still declared a global pandemic by the World Health Organization (WHO). Therefore, an effort that is considered effective in finding therapeutic agents is needed to prevent the spread of COVID-19 infection. One of the steps that can be chosen is by utilizing antimicrobial peptides (AMPs) from animal venom by targeting the specific receptor of SARS-CoV-2, namely the main protease (Mpro). Through this research, a computational approach will be conducted to predict antiviral activity, including protein-peptide docking using PatchDock algorithm, to identify, evaluate, and explore the affinity and molecular interactions of four types of antimicrobial peptides (AMPs), such as Mucroporin, Mucroporin-M1, Mucroporin-S1, and Mucroporin-S2 derived from scorpion venom (Lychas mucronatus) against main protease (Mpro) SARS-CoV-2. These results were then confirmed using protein-peptide interaction dynamics simulations for 50 ns using Gromacs 2016 to observe the molecular stability to the binding site of SARS-CoV-2 Mpro. Based on protein-peptide docking simulations, it was proven that the Mucroporin S-1 peptides have a good affinity against the active site area of SARS-CoV-2 Mpro, with an ACE score of −779.56 kJ/mol. Interestingly, Mucroporin-S1 was able to maintain the stability of its interactions based on the results of RMSD, RMSF, and MM/PBSA binding free energy calculations. The results of the computational approach predict that the Mucroporin-S1 peptide is expected to be useful for further research in the development of new antiviral-based AMPs for the COVID-19 infectious disease.

Analysis of SARS-CoV-2 Spike Protein as The Key Target in the Development of Antiviral Candidates for COVID-19 through Computational Study Taufik Muhammad Fakih; Mentari Luthfika Dewi
Journal of Tropical Pharmacy and Chemistry Vol. 5 No. 4 (2021): Journal of Tropical Pharmacy and Chemistry
Publisher : Faculty of Pharmacy, Universitas Mulawarman, Samarinda, Indonesia, 75117, Gedung Administrasi Fakultas Farmasi Jl. Penajam, Kampus UNMUL Gunung Kelua, Samarinda, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.25026/jtpc.v5i4.254

The recent public health crisis is threatening the world with the emergence of the spread of the new coronavirus 2019 (2019-nCoV) or severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). This virus originates from bats and is transmitted to humans through unknown intermediate animals in Wuhan, China in December 2019. Advances in technology have opened opportunities to find candidates for natural compounds capable of preventing and controlling COVID-19 infection through inhibition of spike proteins of SARS-CoV-2. This research aims to identify, evaluate, and explore the structure of spike protein macromolecules from three coronaviruses (SARS-CoV, MERS-CoV, and SARS-CoV-2) and their effects on Angiotensin-Converting Enzyme 2 (ACE-2) using computational studies. Based on the identification of the three spike protein macromolecules, it was found that there was a similarity between the active binding sites of ACE-2. These observations were then confirmed using a protein-docking simulation to observe the interaction of the protein spike to the active site of ACE-2. SARS-COV-2 spike protein has the strongest bond to ACE-2, with an ACE score of ?1341.85 kJ/mol. Therefore, some of this information from the results of this research can be used as a reference in the development of competitive inhibitor candidates for SARS-CoV-2 spike proteins for the treatment of COVID-19 infectious diseases.

Natural Compounds Activities against SARS-CoV-2 Mpro through Bioinformatics Approaches for Development of Antivirus Candidates Taufik Muhammad Fakih
Jurnal Kimia Sains dan Aplikasi Vol 24, No 5 (2021): Volume 24 Issue 5 Year 2021
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Coronavirus infection (COVID-19) caused by SARS-CoV-2 appears as a pandemic that has spread to almost all countries in the world. Antiviral therapy using natural compounds is one alternative approach to overcome this infectious disease. The therapeutic mechanism is proven effective against the main protease (Mpro) of SARS-CoV-2. This research aims to perform bioinformatics studies, including ligand-docking simulations and protein-protein docking simulations, to identify, evaluate, and explore five compounds' activity on SARS-CoV-2 Mpro and their effects against Angiotensin-Converting Enzyme 2 (ACE-2). Protein-ligand docking simulations show kaempferol, flavonol, and their glycosides (Afzelin and Juglanin) and other flavonoids (Quercetin, Naringenin, and Genistein) have a high affinity towards SARS-CoV-2 Mpro. These results were then confirmed using protein-protein docking simulations to observe the ability of five compounds to prevent the attachment of ACE-2 to the active site. Based on the results of the bioinformatics studies, Quercetin has the best affinity, with a binding free energy value of −33.18 kJ/mol. The five compounds are predicted to be able to interact strongly with SARS-CoV-2. The results in this research are useful for further studies in the development of novel anti-infective drugs for COVID-19 that target SARS-CoV-2 Mpro.

Dermaseptin-Based Antiviral Peptides to Prevent COVID-19 through In Silico Molecular Docking Studies against SARS-CoV-2 Spike Protein Fakih, Taufik Muhammad
Pharmaceutical Sciences and Research
Publisher : UI Scholars Hub

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A pandemic coronavirus disease of 2019 (COVID-19) caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has now been declared a global pandemic by the World Health Organization. The search for new drugs, especially by utilizing antiviral peptides is a very potential area. Through this study, protein-peptide docking and protein-protein docking simulations were conducted using in silico methods to identify, evaluate, and explore the molecular affinity and interaction of dermaseptin peptide molecules produced by frogs of the genus Phyllomedusa against the SARS-CoV-2 spike protein macromolecule, and its effect on attachment to the surface of the ACE-2 (Angiotensin Converting Enzyme-2) receptor. Protein-peptide docking simulation results show that dermaseptin-S9 peptide molecule has the best affinity to the active site of SARS- CoV-2 spike protein macromolecule binding site, with a binding free energy value of −792.93 kJ/mol. Then the results of protein-protein docking simulations proved that dermaseptin-S9 peptide molecule was able to prevent the attachment of SARS-CoV-2 spike protein to the surface of the ACE-2 receptor, with a total energy value of 517.85 kJ/mol. Therefore, it is hoped that dermaseptin-S9 peptide molecule can be further studied in the development of novel antiviral peptide candidates for the control of COVID-19 infectious disease.

Comprehensive In Silico Analysis of Christinin Molecular Behaviour from Ziziphus spina-christi Leaves on Propionibacterium acnes Darusman, Fitrianti; Fakih, Taufik Muhammad
Pharmaceutical Sciences and Research
Publisher : UI Scholars Hub

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The role of in silico studies in the discovery of new drugs is very important and interesting in the recent years, where the results can be used as confirmation of the results of in vitro tests carried out experimentally in the laboratory. One of the herbal ingredients is Ziziphus spina-christi leaves with effective antibacterial activity, such as for acne-causing bacteria, namely Propionibacterium acnes. This is because it contains main secondary metabolites with saponins as the major components which contain christinin as its active compound. There are four known types of christinin, namely christinin-A, christinin-B, christinin-C, and christinin-D. In this study, the molecular interaction of the christinin compound was tested to predict its affinity for Propionibacterium acnes compared to clindamycin, as well as to determine the level of safety on the skin so that it can be applied as a topical anti-acne dosage form. In silico studies, including molecular docking and toxicity prediction, were used to assess the activity of four molecules of the christinin compound on c-Jun N-terminal kinase (JNK) macromolecules. The christinin molecules form a strong and stable molecular interaction with the active site of the binding of c-Jun N-terminal kinase (JNK) macromolecules. Interestingly, the christinin compound molecules also has a fairly good level of safety based on the three identified parameters. Based on this results christinin compound molecules has potential to be developed as c-Jun N-terminal kinase (JNK) inhibitors candidate to control of skin infections caused by Propionibacterium acnes which has potential as a topical anti-acne.

Insights into Molecular Interaction of Flavonoid Compounds in Citrus Peel Bound to Collagenase and Elastase Enzymes: A Computational Study Priani, Sani Ega; Fakih, Taufik Muhammad
Pharmaceutical Sciences and Research
Publisher : UI Scholars Hub

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Citrus peels contain various phytochemical active compounds such as flavonoids that are useful for antiaging cosmetic products. This study was conducted to identify the anti-collagenase and anti-elastase activities of flavonoid compounds in citrus peel and to determine the molecular interaction mechanism using the molecular docking method. The study was carried out through several stages, including preparation of enzyme macromolecules, preparation of flavonoid compound molecules, validation of molecular docking, identification of binding-free energy, visualization of interaction conformations, and predictions of molecular skin toxicity. The result showed that the flavonoid compounds in citrus peel (hesperidin, naringin, nobiletin, and tangeretin) could bind to collagenase and elastase enzymes. Naringin has the highest affinity for the collagenase enzyme with the binding-free energy of −9.52 kcal/mol, while nobiletin has the highest affinity for the elastase enzyme with the binding-free energy of −6.44 kcal/mol. Compared to EGCG (epigallocatechin gallate), the flavonoid compounds have a lower affinity for the collagenase enzyme but a higher affinity for elastase enzymes. Hydrogen bonds and the hydrophobic interactions dominate the interaction between citrus peel’s flavonoids against the enzymes. When applied to the skin, flavonoid compounds are predicted to have no risk of skin toxicity. The flavonoid compounds of citrus peels are expected to have anti-collagenase and anti-elastase activities.

Self-Assembly of Black Cumin Oil-Based Nanoemulsion on Various Surfactants: A Molecular Dynamics Study Hidayat, Aulia Fikri; Fakih, Taufik Muhammad
Makara Journal of Science Vol. 25, No. 4
Publisher : UI Scholars Hub

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Black cumin is commonly used as traditional medicine due to its wide range of pharmacological potential. Black cumin oil (BCO) was often prepared as nanoemulsion to improve its solubility, stability, and bioavailability. This study was conducted to investigate the molecular behavior as well as structural evolution of BCO-surfactant systems during self-assembly micellization using molecular dynamics (MD) simulations. Several BCO constituents and variations of surfactants were employed to model BCO-surfactant systems. 50 ns of MD simulations were performed to elucidate their evolution of structures and physicochemical properties during formation. Results showed that BCO-tween20 and BCO-lecithin were able to form spherical-shaped micelles with the effective radii of 10.20 and 8.67 nm at the end of the simulation. Also, from the root mean square deviation and radius of gyration profile, it is showed that BCO-tween20 system was able to maintain the stability of its structure throughout the simulation. Results also revealed that self-assembly of BCO-surfactant systems were exothermic processes, confirming spontaneous nature upon formation

Identifikasi Epitop Sel-T COVID-19 terhadap Reseptor Imun TLR-2 (Toll-like Receptor-2) untuk Pengembangan Vaksin Berbasis Peptida Ridwan Wijaya; Aulia Fikri Hidayat; Taufik Muhammad Fakih
Bandung Conference Series: Pharmacy Vol. 2 No. 2 (2022): Bandung Conference Series: Pharmacy
Publisher : UNISBA Press

Abstract. The coronavirus outbreak that is sweeping the world is a serious challenge for the international health system. Overcoming the lack of information regarding experimental data, tools and even understanding of the body's immune response to SARS-CoV2, it is necessary to take effective steps to anticipate the spread and control the COVID-19 pandemic. Therefore, a COVID-19 epitope T-cell protein-peptida docking simulation against the TLR-2 (Toll-like Receptor-2) immune receptor target with the PDB code 2Z80 computationally was carried out in order to add dry laboratory data information, anticipate contact and crowds so as to minimize the spread of the SARS-CoV2 outbreak. There are several bioactive peptidas that are potential candidates for SARS-CoV2 vaccines such as bioactive peptidas FLAFVVFLL, FVLAAVYRI, FVVFLLVTL, VLLFLAFVV and YVYSRVKNL. This study aims to identify and evaluate the molecular interactions that occur between bioactive peptida molecules and TLR-2 enzyme macromolecules with PDB code 2Z80 using in-silico protein-peptida-based molecular docking method. Bioactive peptida sequence modeling using PEP-FOLD software. Furthermore, the best conformation was selected to be used in the study of interactions with TLR-2 macromolecules using the HPEPDock software. Further exploration was carried out on the results of molecular interactions formed using the BIOVIA Discovery Studio 2019 software. Based on the results from molecular anchoring, the bioactive peptida FLAFVVFLL had the best affinity for TLR-2 macromolecules (PDB code 2Z80) with a bond free energy value of -155,194 kJ/mol. So it can be concluded that the bioactive peptida is predicted to be used as a candidate for TLR-2 enzyme inhibitor. Abstrak. Wabah virus corona yang sedang melanda dunia ini merupakan suatu tantangan yang serius bagi sistem kesehatan internasional. Mengatasi kurangnya informasi mengenai data eksperimental, alat bahkan pemahaman mengenai respons imun tubuh terhadap SARS-CoV2 diperlukan langkah yang efektif agar mengantisipasi penyebaran sekaligus mengendalikan pandemic COVID-19. Maka dari itu dilakukan simulasi docking protein-peptida sel-T epitope COVID-19 terhadap target reseptor imun TLR-2 (Toll-like Receptor-2) dengan kode PDB 2Z80 secara komputasi agar menambahkan informasi data laboratorium kering, mengantisipasi kontak dan kerumunan sehingga meminimalisir penyebaran wabah SARS-CoV2. Terdapat beberapa peptida bioaktif yang berpotensi sebagai kandidat vaksin SARS-CoV2 seperti peptida bioaktif FLAFVVFLL, FVLAAVYRI, FVVFLLVTL, VLLFLAFVV dan YVYSRVKNL. Penelitian ini bertujuan mengidentifikasi dan mengevaluasi interaksi molekuler yang terjadi antara molekul peptida bioaktif dengan makromolekul enzim TLR-2 dengan kode PDB 2Z80 menggunakan metode penambatan molekuler berbasis protein-peptida secara in-silico. Pemodelan sekuensi peptida bioaktif dengan menggunakan perangkat lunak PEP-FOLD. Selanjutnya dipilih konformasi terbaik untuk digunakan pada studi interaksi terhadap makromolekul TLR-2 dengan menggunakan perangkat lunak HPEPDock. Dilakukan eksplorasi lebih lanjut terhadap hasil interaksi molekuler yang terbentuk dengan menggunakan perangkat lunak BIOVIA Discovery Studio 2019. Berdasarkan hadil dari penambatan molekuler, ppeptida bioaktif FLAFVVFLL memiliki afinitas yang paling baik terhadap makromolekul TLR-2 (kode PDB 2Z80) dengan nilai energi bebas ikatan -155,194 kJ/mol. Sehingga dapat disimpulkan, peptida bioaktif tersebut diprediksi dapat digunakan sebagai kandidat inhibitor enzim TLR-2.

Uji In-Silico Aktivitas Antikanker Paru Senyawa Vanilloid pada Jahe Merah (Zingiber officinale Roscoe.) terhadap Epidermal Growth Factor Receptor (Egfr) Exon 20 Syahrizal Nazala; Diar Herawati; Taufik Muhammad Fakih
Bandung Conference Series: Pharmacy Vol. 2 No. 2 (2022): Bandung Conference Series: Pharmacy
Publisher : UNISBA Press

Abstract. The anticancer activity of vanilloid compounds in red ginger is thought to have an interaction with the Epidermal Growth Factor Receptor (EGFR) Exon 20 which affects the growth of lung cancer cells. The purpose of this study was to observe the interaction of vanilloid compounds with EGFR Exon 20 and to predict the activity, absorption, distribution and toxicity of vanilloid compounds. All test compounds were optimized by Gauss View software version 5.0.8 and Gaussian version 09, then molecular docking simulations were carried out as well as absorption, distribution and toxicity predictions. Of the 7 vanilloid compounds that were docked, hexahydrocurcumin showed potential as an anticancer compound. Hexahydrocurcumin is declared to meet the requirements of the Lipinski Rule of Five, which means it has good bioavailability. Prediction of absorption and distribution includes the percentage values of Human Intestinal Absorption (HIA), human colon adenocarcinoma (Caco-2), and Plasma Binding Protein (PPB). Toxicity test showed that hexahydrocurcumin compound was mutagenic but not carcinogenic. The molecular docking simulation results showed that the hexahydrocurcumin compound had a better affinity for EGFR Exon 20 compared to other vanilloid compounds. Visualization results showed that hexahydrocurcumin compounds had interactions with amino acid residues Lys129, Leu83, Thr165, Ile10, Asp145, Asp86, Gln31, Phe80, Gln85 and Ala144. The results showed that the hexahydrocurcumin compound had anti-lung cancer candidate activity to EGFR Exon 20 receptor. Abstrak. Aktivitas antikanker senyawa vanilloid pada jahe merah diduga memiliki interaksi dengan Epidermal Growth Factor Receptor (EGFR) Exon 20 yang berperaruh terhadap pertumbuhan sel kanker paru. Tujuan penelitian ini adalah untuk melihat interaksi senyawa vanilloid terhadap EGFR Exon 20 dan mendapatkan prediksi aktivitas, absorpsi, distribusi serta toksisitas senyawa vanilloid. Semua senyawa uji dioptimasi dengan software Gauss View versi 5.0.8 dan Gaussian versi 09 kemudian dilakukan simulasi molecular docking serta prediksi absorpsi, distribusi dan toksisitasnya. Dari 7 senyawa vanilloid yang di dockingkan, hexahydrocurcumin menunjukan potensi sebagai senyawa untuk antikanker. Hexahydrocurcumin dinyatakan memenuhi aturan Lipinski’s Rule of Five yang berarti memiliki bioavailabilitas yang baik. Prediksi absorpsi dan distribusi meliputi nilai persentase Human Intestinal Absorption (HIA), human colon adenocarcinoma (Caco-2), dan Protein Plasma Binding. Pengujian toksisitas menunjukkan bahwa senyawa hexahydrocurcumin bersifat mutagenik namun tidak karsinogenik. Hasil simulasi molecular docking menunjukkan bahwa senyawa hexahydrocurcumin memiliki afinitas yang lebih baik terhadap EGFR Exon 20 dibandingkan dengan senyawa vanilloid lainnya. Hasil visualisasi menunjukkan bahwa senyawa hexahydrocurcumin memiliki interaksi dengan residu asam amino Lys129, Leu83, Thr165, Ile10, Asp145, Asp86, Gln31, Phe80, Gln85 dan Ala144. Hasil yang didapat menunjukkan bahwa senyawa hexahydrocurcumin memiliki potensi untuk dijadikan kandidat anti kanker paru terhadap reseptor EGFR Exon 20.

Uji Aktivitas In Silico Senyawa Amritoside, Tinosporaside dan Turunannya sebagai Kanditat Senyawa Annisa Fitriyani Suryana; Hilda Aprilia; Taufik Muhammad Fakih
Bandung Conference Series: Pharmacy Vol. 2 No. 2 (2022): Bandung Conference Series: Pharmacy
Publisher : UNISBA Press

Abstract. Diabetes Mellitus (DM) is a group of metabolic diseases characterized by a disturbance in insulin function that causes an increase in blood glucose levels (hyperglycemia). The -glucosidase receptor is a receptor that plays a role in the treatment of diabetes mellitus. This study aims to test the activity of compounds amritoside C, amritoside D, amritoside D tetraacetate, tinosponone, tinosporaside in brotowali (Tinospora cordifolia) in silico approach and to find out which compounds have the most potential as antidiabetic. The research was conducted by identifying the physicochemical properties of the test compounds using the swissADME server. After that, geometry optimization was carried out using Gaussian 09. Macromolecular preparation was carried out using the BIOVIA Discovery Studio 2021 software. Furthermore, the validation of the docking method and simulation of the molecular docking method used MGLTools 1.5.6 software with AutoDock Tools 4.2. The molecular docking results were then visualized using the BIOVIA Discovery Studio 2021 software. The toxicity test of the test compounds used Toxtree version 3.1.0 and through the PreADMET website. Based on the value of the free bond energy (ΔG) of Amritoside C compound which is -8.78 kcal/mol and the value of inhibition constant is 0.36 micromolar (µM), Amritoside D compound is -8.85 kcal/mol and the value of inhibition constant is 0.32 micromolar. (µM), Amritoside D Tetraacetate compound was -8.07 kcal/mol and the value of inhibition constant was 1.21 micromolar (µM), Tinosponone compound was -6.57 kcal/mol and the inhibition constant was 15.4 micromolar (µM), Tinosporaside compound is -9.04 kcal/mol and the value of inhibition constant (Ki) is 0.23 micromolar (µM), natural ligand is -6.16 kcal/mol and the value of inhibition constant is 30.28 micromolar (µM). The conclusion of this study is that the tinosporaside compound has the best affinity among the four other test compounds and a natural ligand (acarbose) which is -9.04 kcal/mol and the value of the inhibition constant (Ki) is 0.23 micromolar (µM), indicating that Tinosporaside has the potential to be used as as a candidate for type 2 antidiabetic compounds through the mechanism of -glucosidase inhibition. Abstrak. Diabetes Mellitus (DM) adalah suatu kelompok penyakit metabolik yang ditandai dengan adanya gangguan pada fungsi insulin yang menyebabkan meningkatnya kadar glukosa dalam darah (Hiperglikemia). Reseptor α-glucosidase adalah reseptor yang berperan dalam pengobatan diabetes mellitus. Penelitian ini bertujuan untuk melakukan pengujian aktivitas senyawa amritoside C, amritoside D, amritoside D tetraacetate, tinosponone, tinosporaside pada brotowali (Tinospora Cordifolia) pendekatan secara in silico serta mengetahui senyawa yang paling berpotensi sebagai antidiabetes. Penelitian dilakukan dengan mengidentifikasi sifat fisikokimia senyawa uji menggunakan sever swissADME. Setelah itu dilakukan optimasi geometri menggunakan Gaussian 09. Preparasi makromolekul dilakukan menggunakan software BIOVIA Discovery Studio 2021. Selanjutnya, validasi metode docking dan simulasi metode molecular docking menggunakan software MGLTools 1.5.6 dengan AutoDock Tools 4.2. Hasil molecular docking kemudian divisualisasi dengan menggunakan software BIOVIA Discovery Studio 2021. Uji toksisitas senyawa uji menggunakan Toxtree versi 3.1.0 dan melalui website PreADMET. Berdasarkan nilai energi bebas ikatan (ΔG) senyawa Amritoside C sebesar -8,78 kkal/mol dan nilai konstanta inhibisi 0,36 mikromolar (µM), senyawa Amritoside D sebesar -8,85 kkal/mol dan nilai konstanta inhibisi 0,32 mikromolar (µM), senyawa Amritoside D Tetraacetate sebesar -8,07 kkal/mol dan nilai konstanta inhibisi 1,21 mikromolar (µM), senyawa Tinosponone sebesar -6,57 kkal/mol dan nilai konstanta inhibisi 15,4 mikromolar (µM), senyawa Tinosporaside sebesar -9,04 kkal/mol dan nilai konstanta inhibisi (Ki) 0,23 mikromolar (µM), ligan alami sebesar -6,16 kkal/mol dan nilai konstanta inhibisi 30,28 mikromolar (µM). Kesimpulan penelitian ini senyawa tinosporaside memiliki afinitas paling baik diantara keempat senyawa uji lainnya dan ligan alami (acarbose) yaitu sebesar -9,04 kkal/mol dan nilai konstanta inhibisi (Ki) 0,23 mikromolar (µM), menunjukan senyawa Tinosporaside berpotensi untuk dijadikan sebagai kandidat senyawa antidiabetes tipe 2 melalui mekanisme penghambatan α-glucosidase.

Co-Authors Adryan Fristiohady Akmal Syihabuddin Aldhiya Nurshafa Huwaida Alivia Dyanira Anggi Arumsari Annisa Fitriyani Suryana Annisa Meilani Annisa Meilani Arfan Arfan Arini Nabila Putri Aulia Fikri Hidayat Budi Prabowo Soewondo Dewi, Mentari Luthfika Dewi, Mentari Luthfika Diar Herawati Dina Mulyanti Dina Mulyanti Dwi Syah Fitra Ramadhan Eky Syahroni Faqih Radina Faqih Radina Farendina Suarantika Farendina Suarantika Firda Aulia Jannati Firliani Dwiputri Fitrianti Darusman Gina Fuji Nurfarida Gita Cahya Eka Darma Hilda Aprilia, Hilda Latifa Hana Silfadani Lina Jamilah Liza Dzulhijjah Marillia, Viola Mentari Luthfika Dewi Muhammad Fillah Nabila Shofura Mahardhika Nadhifah Mauludia Rinaldie Nandhy Agustian Luca Pratama Nawang Wulan Rachmatillah Prastowo Putri Nurfadillah Hazar Putri, Nawang Wulan Rachmatillah Prastowo Resty Imfyani Sofyan Ridwan Wijaya Rizki Nuzulfikri Rizki Nuzulfikri Robby Prayitno Robby Prayitno Robby Prayitno Rohayah Rohayah Salsabilla Wijaya Sani Ega Priani Sellygani Budi Vaelani Sintya Suherlan Siti Ainun Rohaniah Siti Hardianti Syahrizal Nazala Sylvie Kurniasih Tanisa Maghfira Syarza Teti Sofia Yanti Trully Nouval Larasati Viola Marillia

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