Rezultati pretrage - "molecular dynamics"

Integrating network pharmacology, molecular docking and experimental verification to explore the therapeutic effect and potential mechanism of nomilin against triple-negative breas... od Zhixuan Wu, Haoyi Xiang, Xiaowu Wang, Rongrong Zhang, Yangyang Guo, Liangchen Qu, Jingyao Zhou, Yanyi Xiao

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Acer tegmentosum Maxim and Bacillus subtilis-fermented products inhibit TNF-α-induced endothelial inflammation and vascular dysfunction of the retina: the role of tyrosol moiety in... od Phuc Anh Nguyen, Jong Soon Won, Min Kyung Cho

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Identification of South African Plant-Based Bioactive Compounds as Potential Inhibitors against the SARS-CoV-2 Receptor od Nqobile Monate Mkolo, Clarissa Marcelle Naidoo, Rose Kadye, Chikwelu Lawrence Obi, Benson Chucks Iweriebor, Oyinlola Oluwunmi Olaokun, Earl Prinsloo, Muhammad Sulaiman Zubair

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Antinociceptive Activity of Borreria verticillata: In vivo and In silico Studies od Rosa H. M. Silva, Nathália de Fátima M. Lima, Alberto J. O. Lopes, Cleydlenne C. Vasconcelos, José W. C. de Mesquita, Ludmilla S. S. de Mesquita, Fernando C. V. M. Lima, Maria N. de S. Ribeiro, Ricardo M. Ramos, Maria do Socorro de S. Cartágenes, João B. S. Garcia

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Artemvulactone E isolated from Artemisia vulgaris L. ameliorates lipopolysaccharide-induced inflammation in both RAW264.7 and zebrafish model od Zibo Zhao, Shimin Lin, Tao Liu, Xiao Hu, Shurong Qin, Fengyun Zhan, Jiaqi Ma, Chen Huang, Zhibin Huang, Yifei Wang, Kai Zheng, Wenqing Zhang, Zhe Ren

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Exploring molecular interactions and ADMET profiles of novel MAO-B inhibitors: toward effective therapeutic strategies for neurodegenerative disorders od Amir Raza, Jitendra Chaudhary, Azmat Ali Khan, Mahaveer Singh, Deepak Kumar, Abdul Malik, Pankaj Wadhwa

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Employing an immunoinformatics approach revealed potent multi-epitope based subunit vaccine for lymphocytic choriomeningitis virus od Muhammad Waqas, Shahkaar Aziz, Aiman Bushra, Sobia Ahsan Halim, Amjad Ali, Saeed Ullah, Asaad Khalid, Ashraf N. Abdalla, Ajmal Khan, Ahmed Al-Harrasi

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Molecular and Structural Aspects of Clinically Relevant Mutations of SARS-CoV-2 RNA-Dependent RNA Polymerase in Remdesivir-Treated Patients od Carmen Gratteri, Francesca Alessandra Ambrosio, Antonio Lupia, Federica Moraca, Bruno Catalanotti, Giosuè Costa, Maria Bellocchi, Luca Carioti, Romina Salpini, Francesca Ceccherini-Silberstein, Simone La Frazia, Vincenzo Malagnino, Loredana Sarmati, Valentina Svicher, Sharon Bryant, Anna Artese, Stefano Alcaro

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Network pharmacology and molecular docking technology-based predictive study of the active ingredients and potential targets of rhubarb for the treatment of diabetic nephropathy od Shaojie Fu, Yena Zhou, Cong Hu, Zhonggao Xu, Jie Hou

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<i>In Vitro</i> and <i>In Silico</i> Approaches for the Antileishmanial Activity Evaluations of Actinomycins Isolated from Novel <i>Streptomyces smyrnaeus</i> Strain UKAQ_23 od Kamal A. Qureshi, Ibrahim Al Nasr, Waleed S. Koko, Tariq A. Khan, M. Qaiser Fatmi, Mahrukh Imtiaz, Riaz A. Khan, Hamdoon A. Mohammed, Mariusz Jaremko, Abdul-Hamid Emwas, Faizul Azam, Avinash D. Bholay, Gamal O. Elhassan, Dinesh K. Prajapati

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Inhibitory potential of plant-derived metabolites against Zika virus: a computational-aided approach od Sheikh Rashel Ahmed, Anik Banik, Sadia Mahjabin Anni, Mohammed Mehadi Hassan Chowdhury

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DMAG, a novel countermeasure for the treatment of thrombocytopenia od Jing Lin, Jing Zeng, Sha Liu, Xin Shen, Nan Jiang, Yue-Song Wu, Hong Li, Long Wang, Jian-Ming Wu

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The thiophene α-terthienylmethanol isolated from Tagetes minuta inhibits angiogenesis by targeting protein kinase C isozymes α and β2 od María C. Llorens de los Ríos, Priscila A. Lanza, Cecilia L. Barbieri, María L. González, Macarena Funes Chabán, Gastón Soria, D. Mariano A. Vera, María C. Carpinella, Mariana B. Joray

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Combinative effects of akarkara root-derived metabolites on anti-inflammatory and anti-alzheimer key enzymes: integrating bioassay-guided fractionation, GC-MS analysis, and in sili... od Rana M. Ibrahim, Passent M. Abdel-Baki, Ghada F. Elmasry, Ahmed A. El-Rashedy, Nariman E. Mahdy

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Catalpol reduced LPS induced BV2 immunoreactivity through NF-κB/NLRP3 pathways: an in Vitro and in silico study od Yong She, Chong-yu Shao, Yuan-feng Liu, Ying Huang, Jiehong Yang, Hai-tong Wan

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Exploring the potential mechanism of Radix Bupleuri in the treatment of sepsis: a study based on network pharmacology and molecular docking od Hao Wang, Wei Xiong, Yongchu Laram, Li Hu, Wu Zhong, Yingchun Hu

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Computational and experimental insights into glycyrrhizin-loaded nanostructured lipid carriers: docking, dynamics, design optimization, and anticancer efficacy in lung cancer cells od Amit Kumar, Abhishek Tiwari, Varsha Tiwari

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Xanthine oxidase inhibitory potentials of flavonoid aglycones of Tribulus terrestris: in vivo, in silico and in vitro studies od Olusegun Samson Ajala, Ayotomiwa Olubusayo Ayeleso, Mbang Owolabi, Moshood Olusola Akinleye, Grace Ukpo

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α-Glucosidase and α-Amylase Inhibitory Potentials of Quinoline-1,3,4-oxadiazole Conjugates Bearing 1,2,3-Triazole with Antioxidant Activity, Kinetic Studies, and Computational Vali... od Nosipho Cele, Paul Awolade, Pule Seboletswe, Kolawole Olofinsan, Md. Shahidul Islam, Parvesh Singh

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