Modified Gegen Qinlian Decoction Ameliorates DSS-Induced Ulcerative Colitis in Mice by Inhibiting Ferroptosis via Nrf2/GPX4 Pathway by Jinke Huang, Jiaqi Zhang, Zhihong Liu, Jing Ma, Fengyun Wang, Xudong Tang

“…Western blot and qRT-PCR analyses were used to assess the expression levels of the proteins of Nrf2/GPX4 pathway. The docking affinity of MGQD and Nrf2 was assessed using AutoDock Vina 1.1.2. …”
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Exploring the Antidiarrheal Properties of Papaya Leaf: Insights In Vivo Study in Mice-Model and In Silico Analysis at M3 Muscarinic Acetylcholine Receptor Interaction by Nyi Mekar Saptarini, Faruk Jayanto Kelutur, Mary Jho-Anne Tolentino Corpuz

“…Based on a molecular docking study, the flavonoid glycoside was very effective as an antidiarrheal remedy. …”
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Computational Study of Trisindoline 5 Against Overexpressed EGFR Protein on Breast Cancer Stem Cell by Nurhayati A.P.D., Fatoni M., Santoso M., Wati F.A.

“…Data retrieval trisindoline 5 using ChemDraw, doxorubicin as positive control from PubChem, EGFR from RCSB database. Docking was done using AutoDock Vina and the results were visualized using Biovia Discovery Studio. …”
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Victim compensation: a child of penal welfarism or carceral policies by Mimi E. Kim, Carina Gallo

“…Med stöd i en jämförande historisk fallstudiemetod visar artikeln dock att kompensationsreformerna i de två länderna skilde sig åt och kom att avspegla respektive lands välfärds- och kriminalpolitik. …”
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Exploring the Pharmacological Potential of Carrageenan Disaccharides as Antitumor Agents: An In Silico Approach by Ohana Leticia Tavares Silva, Monique Gabriela das Chagas Faustino Alves, Hugo Alexandre Oliveira Rocha

“…Target prediction using SwissTarget and PPB2 identified five carbonic anhydrases, which are also targets of oncology drugs, as common targets for the disaccharides. Molecular docking performed with AutoDock Vina revealed that the binding energies of the disaccharides with carbonic anhydrases were comparable to or greater than those of existing drugs that target these lyases. …”
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GC-MS Analysis of phytochemical compounds from Javan olive leaves (Olea javanica) extract and bioactivity screening of antidiabetes through in silico approach by Lailatus Fitri, Ayu Dewi Wulandari, Tri Sumaryono, Nur Fatimah Azzahra Haibaturrahma, Bunga Nanda Agustina, Muhammad Badrut Tamam

“…In silico analysis revealed a molecule that matched the target protein for the treatment of diabetes in the form of the compound -(-calamenene) which has antidiabetic activity based on molecular docking in this study.…”
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Flavonoids as Strong Inhibitors of MAPK3: A Computational Drug Discovery Approach by Amir Taherkhani, Parita Khodadadi, Lida Samie, Zahra Azadian, Zeynab Bayat

“…A cross-validation study was executed using the Schrödinger Maestro docking tool. Molecular dynamics (MD) was executed to evaluate the stability of docked poses between the top-ranked compounds and the MAPK3 catalytic domain. …”
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Paeoniflorin alleviates high glucose-induced endothelial cell apoptosis in diabetes mellitus by inhibiting HRAS-activated RAS pathway by Wenting Yu, Hongchun Jiang

“…GO and KEGG analyses were carried out on the cross targets. Protein molecular docking verification was completed by AutoDockTools and Pymol programs. …”
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STRATEGI PENGEMBANGAN PARIWISATA DI SEPANJANG SUNGAI KAPUAS KOTA PONTIANAK by RISKA APRILIA AYUNINGTYAS, SRI HIDAYATI DJOEFFAN

“…Analysis of supply and demand analysis is a matrix of strategic data to internal factors (IFAS) and external factors (EFAS) program as well as some recommendations for the development of Tourism for the City of Pontianak, the government participate in activities as their main duty to participate in the promotion of destinations, development of basic infrastructure in tourist objects are not managed by the private sector as a simple dock, toilets, mosque and construction of the entertainment / arts performances place. …”
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Les installations portuaires romaines d’Irun/Oiasso (Pays basque, Espagne) : entre équipement fonctionnel et façade urbaine by Mertxe Urteaga

“…To date, information has been obtained on three harbor areas and a half a dozen other facilities, and allows for differentiation between dry docks, breakwater jetties, slipway jetties and small platforms. …”
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Virtual Screening for Potential Inhibitors of NS3 Protein of Zika Virus by Maheswata Sahoo, Lingaraja Jena, Sangeeta Daf, Satish Kumar

“…In this study, we performed molecular docking analysis of these drugs against nonstructural 3 (NS3) protein of ZIKV. …”
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Synthesis of Novel VO(II)-Perimidine Complexes: Spectral, Computational, and Antitumor Studies by Gamil A. Al-Hazmi, Khlood S. Abou-Melha, Nashwa M. El-Metwaly, Kamel A. Saleh

“…QSAR parameters were also obtained to give another side of view about the biological approach with the priority of the L3 ligand. Applying AutoDockTools 4.2 program over all perimidine derivatives introduces efficiency against 4c3p protein of breast cancer. …”
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Computational biology assisted exploration of phytochemicals derived natural inhibitors to block BZLF1 gene activation of Epstein–Bar virus in host by Muhammad Naveed, Muzamal Hussain, Tariq Aziz, Nimra Hanif, Nazia Kanwal, Arooj Arshad, Ayaz Ali Khan, Abdulrahman Alshammari, Metab Alharbi

“…Natural inhibitors were found in the literature and PubChem, tested with PyRx, and performed blind docking by using CB-Dock, then the top selected drug candidate from natural inhibitors was analyzed for possible drug development applications using preADMET, Molinspiration, and MD simulations. …”
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Variability of daily feed intake as an indicator of resilience in Pietrain pigs by C. Casto-Rebollo, P. Nuñez, S. Gol, J. Reixach, N. Ibáñez-Escriche

“…Overlapping genomic regions were found for RIs and feed conversion ratio, highlighting DOCK1, SYK and SPTLC1 genes for their potential roles in modulating immune responses and/or metabolism. …”
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Phytocompounds from Indonesia Medicinal Herbs as Potential Apelin Receptor Agonist for Heart Failure Therapy: An In-silico Approach by Muhamad Rizqy Fadhillah, Wawaimuli Arozal, Muhammad Habiburrahman, Somasundaram Arumugam, Heri Wibowo, Suci Widya Primadhani, Aryo Tedjo, Surya Dwira, Nurul Gusti Khatimah

“…Active metabolites were sourced from the Knapsack Database. Molecular docking using Molegro Virtual Docker assessed binding energy, with more negative MolDockScores indicating stronger interactions. …”
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Characterisation of EfbA from the Endodontic Pathogen Enterococcus faecalis and Prediction of Immunodominant EfbA Epitope Peptides: An In-vitro and In-silico Study by Dev Arora, AS Smiline Girija, J Vijayashree Priyadharsini

“…The prediction of T-cell epitopes was carried out with the help of the EpiDOCK server, and B-cell predictions were made using the Kolaskar and Tongaonkar tool. …”
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Apoptosis in the liver of male <em>db/db</em> mice during the development of obesity and type 2 diabetes by S. V. Michurina, I. Yu. Ishchenko, S. A. Arkhipov, M. A. Cherepanova, D. V. Vasendin, E. L. Zavjalov

“…Homozygous males of BKS.Cg-Dock7mLeprdb/+/+/J mice (db/db mice) are characterized by progressive obesity and the development of type 2 diabetes mellitus (DM2) with severe hyperglycemia at 4–8 weeks and organ lesions at 8–10 weeks of age. …”
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Förändringsrummet i fyra dimensioner: Att navigera osäkerhet och möjliggöra transformativt samskapande by Pia Andersson, Henrietta Palmer

“…Olika forskningsområden har identifierat sätt att förstå och praktiskt överbrygga den osäkerhet som uppstår när olika perspektiv möts och behöver integreras. Vi menar dock att osäkerhet förvisso verkar som ett hinder men också som en möjlighet i samverkansprocesser. …”
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Bergapten alleviates senescence of chondrocytes in osteoarthritis by YE Yuanlan, LIU Kaiwen, PAN Yiming

“…The obtained targets were intersected with Venny2.1.0, protein-protein interaction (PPI) analysis was performed using the STRING database, and molecular docking was conducted by AutoDock Vina. Subsequently, human chondrocyte C28/I2 cells were subjected in the following validation experiments. …”
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Aspek biologi reproduksi ikan pari blentik Neotrygon kuhlii di perairan Selat Sunda by Salma Abubakar, Mennofatria Boer, , Sulistiono

“…The reproduction characteristic covered the size of first gonad maturity, the level and also index of gonad maturity of bluespotted stingray fish in Labuan Fishing Dock, Banten. The result showed the equilibrium of length-weight of female fish was about W=0.0007L2,1496. …”
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