Resultados de búsqueda - "molecular dynamics"

Development of an MCL-1-related prognostic signature and inhibitors screening for glioblastoma por Ao Zhang, Zhen Guo, Jia-xin Ren, Hongyu Chen, Wenzhuo Yang, Yang Zhou, Lin Pan, Zhuopeng Chen, Fei Ren, Youqi Chen, Menghan Zhang, Fei Peng, Wanting Chen, Xinhui Wang, Zhiyun Zhang, Hui Wu

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Electron Beam Radiation as a Safe Method for the Sterilization of Aceclofenac and Diclofenac-The Usefulness of EPR and ¹H-NMR Methods in Determination of Molecular Struc... por Marcin Janiaczyk, Anna Jelińska, Aneta Woźniak-Braszak, Paweł Bilski, Maria Popielarz-Brzezińska, Magdalena Wachowiak, Mikołaj Baranowski, Szymon Tomczak, Magdalena Ogrodowczyk

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The influence of variations of furanosesquiterpenoids content of commercial samples of myrrh on their biological properties por Ali S. Alqahtani, Omar M. Noman, Md. Tabish Rehman, Nasir A. Siddiqui, Mohamed F. Alajmi, Fahd A. Nasr, Abdelaaty A. Shahat, Perwez Alam

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Formulation of next-generation polyvalent vaccine candidates against three important poxviruses by targeting DNA-dependent RNA polymerase using an integrated immunoinformatics and... por Anuj Kumar, Mansi Dutt, Budheswar Dehury, Gustavo Sganzerla Martinez, Krishna Pal Singh, David J. Kelvin

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Gegen Qinlian Decoction treatment of asymptomatic hyperuricemia by targeting circadian immune function por Xiaojun Wang, Xuanqi Liu, Qiushuang Gao, Xuchao Gu, Guannan Zhang, Zhiyuan Sheng, Tao Wu, Zheling Su, Wenhao Wang, Maoqing Ye

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Prominent Neuroprotective Potential of Indole-2-<i>N</i>-methylpropargylamine: High Affinity and Irreversible Inhibition Efficiency towards Monoamine Oxidase B Revealed by Computat... por Lucija Vrban, Robert Vianello

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The discovery of berberine erythrocyte-hemoglobin self-assembly delivery system: a neglected carrier underlying its pharmacokinetics por Qiuxia Yu, Minhua Li, Hanbin Chen, Lieqiang Xu, Juanjuan Cheng, Guoshu Lin, Yuhong Liu, Ziren Su, Xiaobo Yang, Yucui Li, Jiannan Chen, Jianhui Xie

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Analysis of some flavonoids for inhibitory mechanism against cancer target phosphatidylinositol 3-kinase (PI3K) using computational tool por Mohd Suhail, Mohd Suhail, Wejdan M. AlZahrani, Shazi Shakil, Shazi Shakil, Shazi Shakil, Mohammad Tarique, Shams Tabrez, Shams Tabrez, Torki A. Zughaibi, Torki A. Zughaibi, Mohd Rehan, Mohd Rehan

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Multidimensional role of adapalene in regulating cell death in multiple myeloma por Xinya Cao, Jie Xiang, Qi Zhang, Jinwen Liu, Dongming Zhou, Yong Xu, Peipei Xu, Bing Chen, Hua Bai

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Allosteric Coupling Between Drug Binding and the Aromatic Cassette in the Pore Domain of the hERG1 Channel: Implications for a State-Dependent Blockade por Meruyert Kudaibergenova, Meruyert Kudaibergenova, Jiqing Guo, Hanif M. Khan, Farhan Zahid, James Lees-Miller, Sergei Yu. Noskov, Henry J. Duff

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Insights into the Interactions of Fasciola hepatica Cathepsin L3 with a Substrate and Potential Novel Inhibitors through In Silico Approaches. por Lilian Hernández Alvarez, Dany Naranjo Feliciano, Jorge Enrique Hernández González, R O Soares, Diego Enry Barreto Gomes, Pedro Geraldo Pascutti

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Diosgenin and Monohydroxy Spirostanol from <i>Prunus amygdalus var amara</i> Seeds as Potential Suppressors of EGFR and HER2 Tyrosine Kinases: A Computational Approach por Mohammed Helmy Faris Shalayel, Ghassab M. Al-Mazaideh, Abdulkareem A. Alanezi, Afaf F. Almuqati, Meshal Alotaibi

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Discovery of METTL3 Small Molecule Inhibitors by Virtual Screening of Natural Products por Yue Du, Yue Du, Yongliang Yuan, Yongliang Yuan, Le Xu, Fang Zhao, Fang Zhao, Wenbin Wang, Yiping Xu, Yiping Xu, Xin Tian, Xin Tian

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Menisoxoisoaporphine A, a novel oxoisoaporphine alkaloid from Menispermi Rhizoma, inhibits inflammation by targeting PDE4B por Xin Qiao, Xin Qiao, Xin Qiao, Xiaojuan Cao, Xiaojuan Cao, Xiaojuan Cao, Shuang Xu, Shuang Xu, Shuang Xu, Cunlin Wang, Cunlin Wang, Cunlin Wang, Rui Guo, Rui Guo, Rui Guo, Xiaojuan Yao, Xiaojuan Yao, Xiaojuan Yao, Qiong Zhang, Qiong Zhang, Qiong Zhang

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Cholesterol Corrects Altered Conformation of MHC-II Protein in Leishmania donovani Infected Macrophages: Implication in Therapy. por Koushik Roy, Sapan Mandloi, Saikat Chakrabarti, Syamal Roy

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Characterization of Plant-Derived Natural Inhibitors of Dipeptidyl Peptidase-4 as Potential Antidiabetic Agents: A Computational Study por Alomgir Hossain, Md Ekhtiar Rahman, Md Omar Faruqe, Ahmed Saif, Suzzada Suhi, Rashed Zaman, Abdurahman Hajinur Hirad, Mohammad Nurul Matin, Muhammad Fazle Rabbee, Kwang-Hyun Baek

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H₂O₂-Mediated Oxidative Stress Enhances Cystathionine γ-Lyase-Derived H₂S Synthesis via a Sulfenic Acid Intermediate por Jun Wang, Guanya Jia, Heng Li, Shasha Yan, Jing Qian, Xin Guo, Ge Li, Haizhen Qi, Zhilong Zhu, Yanjun Wu, Weijuan He, Weining Niu

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Physalin H, physalin B, and isophysalin B suppress the quorum-sensing function of Staphylococcus aureus by binding to AgrA por Junpei Yamaguchi, Teruhisa Manome, Teruhisa Manome, Yasumasa Hara, Yasumasa Hara, Yuriko Yamazaki, Yuriko Yamazaki, Yuumi Nakamura, Yuumi Nakamura, Masami Ishibashi, Masami Ishibashi, Akiko Takaya, Akiko Takaya, Akiko Takaya

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Mechanistic Insights Into Co-Administration of Allosteric and Orthosteric Drugs to Overcome Drug-Resistance in T315I BCR-ABL1 por Hao Zhang, Hao Zhang, Mingsheng Zhu, Mingzi Li, Duan Ni, Yuanhao Wang, Liping Deng, Kui Du, Shaoyong Lu, Hui Shi, Chen Cai

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Synergistic effect of potential alpha-amylase inhibitors from Egyptian propolis with acarbose using in silico and in vitro combination analysis por Ahmed A. Nada, Aly M. Metwally, Aya M. Asaad, Ismail Celik, Reham S. Ibrahim, Safa M. Shams Eldin

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