Rezultaty - "molecular dynamics"

Design and synthesis of thiazolidine-2,4-diones hybrids with 1,2-dihydroquinolones and 2-oxindoles as potential VEGFR-2 inhibitors: in-vitro anticancer evaluation and in-silico stu... od Mohammed S. Taghour, Hazem Elkady, Wagdy M. Eldehna, Nehal M. El-Deeb, Ahmed M. Kenawy, Eslam B. Elkaeed, Aisha A. Alsfouk, Mohamed S. Alesawy, Ahmed M. Metwaly, Ibrahim. H. Eissa

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Imidazothiazole-based potent inhibitors of V600E-B-RAF kinase with promising anti-melanoma activity: biological and computational studies od Hanan S. Anbar, Mohammed I. El-Gamal, Hamadeh Tarazi, Bong S. Lee, Hong R. Jeon, Dow Kwon, Chang-Hyun Oh

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Loading and release of cancer chemotherapy drugs utilizing simultaneous temperature and pH-responsive nanohybrid od Mohammad Dahri, Hossein Akbarialiabad, Ahmad Miri Jahromi, Reza Maleki

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A cheminformatics-biophysics correlate to identify promising lead molecules against matrix metalloproteinase-2 (MMP-2) enzyme: A promising anti-cancer target od Faris Alrumaihi

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Niwaki Instead of Random Forests: Targeted Serial Sectioning Scanning Electron Microscopy With Reimaging Capabilities for Exploring Central Nervous System Cell Biology and Patholog... od Martina Schifferer, Martina Schifferer, Nicolas Snaidero, Nicolas Snaidero, Nicolas Snaidero, Minou Djannatian, Minou Djannatian, Martin Kerschensteiner, Martin Kerschensteiner, Martin Kerschensteiner, Thomas Misgeld, Thomas Misgeld, Thomas Misgeld

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Effect of Phenolics from <i>Aeonium arboreum</i> on Alpha Glucosidase, Pancreatic Lipase, and Oxidative Stress; a Bio-Guided Approach od Marwah M. Alfeqy, Seham S. El-Hawary, Ali M. El-Halawany, Mohamed A. Rabeh, Saad A. Alshehri, Aya M. Serry, Heba A. Fahmy, Marwa. I. Ezzat

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Prediction of α-Glucosidase Inhibitory Activity of LC-ESI-TQ-MS/MS-Identified Compounds from <i>Tradescantia pallida</i> Leaves od Fariha Imtiaz, Muhammad Islam, Hamid Saeed, Abrar Ahmed, Furqan Khurshid Hashmi, Kashif Maqbool Khan, Umair Ikram Dar, Kalim Ullah, Sibghat Mansoor Rana, Bushra Saleem, Anam Yasmeen, Aneeba Ahmad, Hafiza Arbab Hussain, Atika Afzal, Kashmala Shahid

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Metabolomic profile, anti-trypanosomal potential and molecular docking studies of Thunbergia grandifolia od Heba A. S. El-Nashar, Ahmed M. Sayed, Hany A. M. El-Sherief, Mostafa E. Rateb, Lina Akil, Ibrahim Khadra, Taghreed A. Majrashi, Sara T. Al-Rashood, Faizah A. Binjubair, Mahmoud A. El Hassab, Wagdy M. Eldehna, Usama Ramadan Abdelmohsen, Nada M. Mostafa

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Virtual screening, molecular docking, MD simulation studies, DFT calculations, ADMET, and drug likeness of Diaza-adamantane as potential MAPKERK inhibitors od Davood Gheidari, Morteza Mehrdad, Foroozan Hoseini

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Identification of Interleukin (IL)-33 Inhibitory Constituents from <i>Canavalia gladiata</i> Pods od Le Ba Vinh, Seung Hyuck Shin, Yoo Kyong Han, Young Jun Kim, Nguyen Cao Cuong, Soohwan Oh, Ki Yong Lee

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From petals to healing: consolidated network pharmacology and molecular docking investigations of the mechanisms underpinning Rhododendron arboreum flower's anti-NAFLD effects od Nitish Singh Jangwan, Mausin Khan, Richa Das, Najla Altwaijry, Ahlam Mansour Sultan, Ruqaiyah Khan, Shakir Saleem, Mamta F. Singh

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Characterization of two pathological gating-charge substitutions in Cav1.4 L-type calcium channels od Thomas Heigl, Michael A. Netzer, Lucia Zanetti, Matthias Ganglberger, Monica L. Fernández-Quintero, Alexandra Koschak

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Presynaptic Release-Regulating Alpha2 Autoreceptors: Potential Molecular Target for Ellagic Acid Nutraceutical Properties od Isabella Romeo, Giulia Vallarino, Federica Turrini, Alessandra Roggeri, Guendalina Olivero, Raffaella Boggia, Stefano Alcaro, Giosuè Costa, Anna Pittaluga

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Bioinformatics and network pharmacology-based study to elucidate the multi-target pharmacological mechanism of the indigenous plants of Medina valley in treating HCV-related hepato... od Mubarak A. Alamri

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Ligand- and Structure-Based Virtual Screening Identifies New Inhibitors of the Interaction of the SARS-CoV-2 Spike Protein with the ACE2 Host Receptor od Timoteo Delgado-Maldonado, Alonzo González-González, Adriana Moreno-Rodríguez, Virgilio Bocanegra-García, Ana Verónica Martinez-Vazquez, Erick de Jesús de Luna-Santillana, Gerard Pujadas, Guadalupe Rojas-Verde, Edgar E. Lara-Ramírez, Gildardo Rivera

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Discovery of novel 2-aminopyridine derivatives as ROS1 and ALK dual inhibitors to combat drug-resistant mutants including ROS1G2032R and ALKG1202R od Siming Liu, Chuan Huang, Chunhui Huang, Yaqi Huang, Yonghuan Yu, Guowu Wu, Fengqiu Guo, Ying Jiang, Shanhe Wan, Zhengguang Zhu, Yuanxin Tian, Jianghua Zhu, Jiajie Zhang

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Network pharmacology based virtual screening of Flavonoids from Dodonea angustifolia and the molecular mechanism against inflammation od Mubarak A. Alamri, Muhammad Tahir ul Qamar

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Computational analysis to investigate the anti-rheumatic potential of plant-based small molecule inhibitor targeting tumor necrosis factor α od Sanaya Rehman, Attya Bhatti, Peter John

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Characterization of pioglitazone cyclodextrin complexes: Molecular modeling to in vivo evaluation od Dinesh M Bramhane, Preethi A Kulkarni, Elvis A.F Martis, Raghuvir R. S Pissurlenkar, Evans C Coutinho, Mangal S Nagarsenker

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Anti-Aging Potential of the Two Major Flavonoids Occurring in Asian Water Lily Using In Vitro and In Silico Molecular Modeling Assessments od Bodee Nutho, Duangjai Tungmunnithum

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