Sökresultat - "molecular dynamics"

Synthesis of Pyrrolo[3,4-<i>b</i>]pyridin-5-ones via Ugi-Zhu Reaction and In Vitro-In Silico Studies against Breast Carcinoma av Ivette Morales-Salazar, Carlos E. Garduño-Albino, Flora P. Montes-Enríquez, Dania A. Nava-Tapia, Napoleón Navarro-Tito, Leonardo David Herrera-Zúñiga, Eduardo González-Zamora, Alejandro Islas-Jácome

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New Approach for Preparing Solid Lipid Nanoparticles with Volatile Oil-Loaded Quercetin Using the Phase-Inversion Temperature Method av Yotsanan Weerapol, Suwisit Manmuan, Nattaya Chaothanaphat, Sontaya Limmatvapirat, Jitnapa Sirirak, Poomipat Tamdee, Sukannika Tubtimsri

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Crystal structure of dihydrofolate reductase from the filarial nematode W. bancrofti in complex with NADPH and folate. av Keith Lange, Kathleen M Frey, Tyler Eck, Cheryl A Janson, Ueli Gubler, Nina M Goodey

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Structure-Based Identification of Novel Histone Deacetylase 4 (HDAC4) Inhibitors av Rupesh Agarwal, Pawat Pattarawat, Michael R. Duff, Hwa-Chain Robert Wang, Jerome Baudry, Jeremy C. Smith

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How drugs get into cells: tested and testable predictions to help discriminate between transporter-mediated uptake and lipoidal bilayer diffusion av Douglas Bruce Kell, Stephen George Oliver

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Research on the mechanism of berberine in the treatment of COVID-19 pneumonia pulmonary fibrosis using network pharmacology and molecular docking av Junfeng Cao, Lianglei Li, Li Xiong, Chaochao Wang, Yijun Chen, Xiao Zhang

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The effect of mutation on neurotoxicity reduction of new chimeric reteplase, a computational study av Pardis Mohammadi pour, Karim Mahnam, Mahsa Taherzadeh, Shahrzad Ahangarzadeh, Abbas Alibakhshi, Elmira Mohammadi

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Therapeutic phosphorodiamidate morpholino oligonucleotides: Physical properties, solution structures, and folding thermodynamics av Farkhad Maksudov, Evgenii Kliuchnikov, Daniel Pierson, M.L. Ujwal, Kenneth A. Marx, Arani Chanda, Valeri Barsegov

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Cheminformatics Identification of Phenolics as Modulators of Penicillin-Binding Protein 2a of <i>Staphylococcus aureus</i>: A Structure-Activity-Relationship-Based Study av Jamiu Olaseni Aribisala, Saheed Sabiu

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The Potential of Dutasteride for Treating Multidrug-Resistant <i>Candida auris</i> Infection av J. Francis Borgio, Noor B. Almandil, Prathas Selvaraj, J. Sherlin John, Rahaf Alquwaie, Eman AlHasani, Norah F. Alhur, Razan Aldahhan, Reem AlJindan, Dana Almohazey, Sarah Almofty, T. Stalin Dhas, Sayed AbdulAzeez

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In Silico Selection and Evaluation of Pugnins with Antibacterial and Anticancer Activity Using Skin Transcriptome of Treefrog (<i>Boana pugnax</i>) av Yamil Liscano, Laura Medina, Jose Oñate-Garzón, Fanny Gúzman, Monica Pickholz, Jean Paul Delgado

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Development and Evaluation of a Self-Nanoemulsifying Drug Delivery System for Sinapic Acid with Improved Antiviral Efficacy against SARS-CoV-2 av Hani A. Alhadrami, Ahmed S.G. Srag El-Din, Hossam M. Hassan, Ahmed M. Sayed, Albaraa H. Alhadrami, Mostafa E. Rateb, Demiana M. Naguib

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Structure-Activity Relationships of Benzothiazole-Based Hsp90 C-Terminal-Domain Inhibitors av Jaka Dernovšek, Živa Zajec, Martina Durcik, Lucija Peterlin Mašič, Martina Gobec, Nace Zidar, Tihomir Tomašič

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Identification of a Dual Inhibitor of Secreted Phospholipase A₂ (GIIA sPLA₂) and SARS-CoV-2 Main Protease av Maria A. Theodoropoulou, Giorgos S. Koutoulogenis, Linlin Zhang, Ifigeneia Akrani, Emmanuel Mikros, Rolf Hilgenfeld, George Kokotos

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Predicting liposome formulations by the integrated machine learning and molecular modeling approaches av Run Han, Zhuyifan Ye, Yunsen Zhang, Yaxin Cheng, Ying Zheng, Defang Ouyang

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Identification of a potent dual-function inhibitor for hIMPDH isoforms by computer-aided drug discovery approaches av Meysam Yazdani, Javad Zamani, Seyed Safa-Ali Fatemi

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Ligand-based design, synthesis, computational insights, and in vitro studies of novel N-(5-Nitrothiazol-2-yl)-carboxamido derivatives as potent inhibitors of SARS-CoV-2 main protea... av Mohamed Elagawany, Ayman Abo Elmaaty, Ahmed Mostafa, Noura M. Abo Shama, Eman Y. Santali, Bahaa Elgendy, Ahmed A. Al-Karmalawy

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Anti-cancer and immunomodulatory evaluation of new nicotinamide derivatives as potential VEGFR-2 inhibitors and apoptosis inducers: in vitro and in silico studies av Reda G. Yousef, Alaa Elwan, Ibraheem M. M. Gobaara, Ahmed B. M. Mehany, Wagdy M. Eldehna, Souad A. El-Metwally, Bshra A. Alsfouk, Eslam B. Elkaeed, Ahmed M. Metwaly, Ibrahim H. Eissa

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Structural insights into high density lipoprotein: Old models and new facts av Valentin eGogonea

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Notoginsenoside R1 Regulates Ischemic Myocardial Lipid Metabolism by Activating the AKT/mTOR Signaling Pathway av Wei Lei, Wei Lei, Wei Lei, Yiqi Yan, Yiqi Yan, Yiqi Yan, Yaolei Ma, Yaolei Ma, Yaolei Ma, Min Jiang, Boli Zhang, Boli Zhang, Boli Zhang, Han Zhang, Han Zhang, Han Zhang, Yuhong Li, Yuhong Li, Yuhong Li

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