Результати пошуку - "molecular dynamics"

Insights Into the Resistance Mechanisms of Inhibitors to FLT3 F691L Mutation via an Integrated Computational Approach за авторством Yunfeng Sun, Zhongni Xia, Qinqin Zhao, Bei Zheng, Meiling Zhang, Yin Ying

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Functional assays for the assessment of the pathogenicity of variants of GOSR2, an ER-to-Golgi SNARE involved in progressive myoclonus epilepsies за авторством Jörn M. Völker, Mykola Dergai, Luciano A. Abriata, Yves Mingard, Daniel Ysselstein, Dimitri Krainc, Matteo Dal Peraro, Gabriele Fischer von Mollard, Dirk Fasshauer, Judith Koliwer, Michael Schwake

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Selective inhibitors targeting Fis1/Mid51 protein-protein interactions protect against hypoxia-induced damage in cardiomyocytes за авторством Mulate Zerihun, Nir Qvit

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Tuning Scorpion Toxin Selectivity: Switching From KV1.1 to KV1.3 за авторством Andrei M. Gigolaev, Alexey I. Kuzmenkov, Steve Peigneur, Valentin M. Tabakmakher, Valentin M. Tabakmakher, Ernesto L. Pinheiro-Junior, Anton O. Chugunov, Anton O. Chugunov, Anton O. Chugunov, Roman G. Efremov, Roman G. Efremov, Roman G. Efremov, Jan Tytgat, Alexander A. Vassilevski, Alexander A. Vassilevski

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Identification of potential SARS-CoV-2 entry inhibitors by targeting the interface region between the spike RBD and human ACE2 за авторством Arun Bahadur Gurung, Mohammad Ajmal Ali, Joongku Lee, Mohammad Abul Farah, Khalid Mashay Al-Anazi

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Identification of New Rofecoxib-Based Cyclooxygenase-2 Inhibitors: A Bioinformatics Approach за авторством Rozires P. Leão, Josiane V. Cruz, Glauber V. da Costa, Jorddy N. Cruz, Elenilze F. B. Ferreira, Raí C. Silva, Lúcio R. de Lima, Rosivaldo S. Borges, Gabriela B. dos Santos, Cleydson B. R. Santos

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Comparative transcriptional and translational analysis of leptospiral outer membrane protein expression in response to temperature. за авторством Miranda Lo, Stuart J Cordwell, Dieter M Bulach, Ben Adler

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Repurposed drugs as histone deacetylase 8 inhibitors: Implications in cancer and neuropathological conditions за авторством Mohammed Alrouji, Kumar Venkatesan, Mohammed S. Alshammari, Fahad A. Alhumaydhi, Sheeba Shafi, Sharaf E. Sharaf, Moyad Shahwan, Anas Shamsi

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Investigation of phytochemicals isolated from selected Saudi medicinal plants as natural inhibitors of SARS CoV-2 main protease: In vitro, molecular docking and simulation analysis за авторством Yousef T.M. Alharbi, Wael M. Abdel-Mageed, Omer A. Basudan, Ramzi A. Mothana, Md Tabish Rehman, Ali A. ElGamal, Ali S. Alqahtani, Omer I. Fantoukh, Mohamed F. AlAjmi

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Structure-Activity Relationship Studies of Chalcones and Diarylpentanoids with Antitumor Activity: Potency and Selectivity Optimization за авторством Joana Moreira, Joana B. Loureiro, Danilo Correia, Andreia Palmeira, Madalena M. Pinto, Lucília Saraiva, Honorina Cidade

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Network pharmacology-based predictions of active components and pharmacological mechanisms of Artemisia annua L. for the treatment of the novel Corona virus disease 2019 (COVID-19) за авторством Yexiao Tang, Xiaobo Li, Yueming Yuan, Hongying Zhang, Yuanyuan Zou, Zhiyong Xu, Qin Xu, Jianping Song, Changsheng Deng, Qi Wang

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Structure-Based In Silico Approaches Reveal IRESSA as a Multitargeted Breast Cancer Regulatory, Signalling, and Receptor Protein Inhibitor за авторством Hassan Hussain Almasoudi, Mutaib M. Mashraqi, Saleh A. Alshamrani, Afaf Awwadh Alharthi, Ohud Alsalmi, Mohammed H. Nahari, Fares Saeed H. Al-Mansour, Abdulfattah Yahya M. Alhazmi

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In-silico and in-vitro analysis of novel substituted benzimidazolyl derivatives for antimycobacterial potentials targeting enoyl acyl carrier protein reductase (InhA) за авторством Umaa Kuppuswamy, Ravi Kumar Rajan, Arvinth Kumar, Muthiah Ramanathan

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In-silico and biochemical analysis of ethyl acetate fraction of Olax subscorpioidea leaf on DMBA-induced cell proliferation in female rats за авторством Ayodeji Adebayo Adelegan, Titilayo Omolara Johnson, Titilope Modupe Dokunmu, Emeka Eze Joshua Iweala

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Structure-Activity Relationship of Synthetic Linear KTS-Peptides Containing Meta-Aminobenzoic Acid as Antagonists of α1β1 Integrin with Anti-Angiogenic and Melanoma Anti-Tumor Acti... за авторством Majdi Saleem Naamneh, Tatjana Momic, Michal Klazas, Julius Grosche, Johannes A. Eble, Cezary Marcinkiewicz, Netaly Khazanov, Hanoch Senderowitz, Amnon Hoffman, Chaim Gilon, Jehoshua Katzhendler, Philip Lazarovici

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Profiling of secondary metabolite and evaluation of anti-diabetic potency of Crotalaria quinquefolia (L): In-vitro, in-vivo, and in-silico approaches за авторством Nazmun Nahar, Md. Nazmul Hasan Zilani, Partha Biswas, Md. Morsaline Billah, Shabana Bibi, Norah A. Albekairi, Abdulrahman Alshammari, Md. Nazmul Hasan

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New Insights into the LANCL2-<b>ABA</b> Binding Mode towards the Evaluation of New LANCL Agonists за авторством Naomi Scarano, Francesco Di Palma, Nicola Origlia, Francesca Musumeci, Silvia Schenone, Sonia Spinelli, Mario Passalacqua, Elena Zocchi, Laura Sturla, Elena Cichero, Andrea Cavalli

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Identification of Cyclic Sulfonamides with an <i>N-</i>Arylacetamide Group as α-Glucosidase and α-Amylase Inhibitors: Biological Evaluation and Molecular Modeling за авторством Furqan Ahmad Saddique, Matloob Ahmad, Usman Ali Ashfaq, Muhammad Muddassar, Sadia Sultan, Magdi E. A. Zaki

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What a Difference an Amino Acid Makes: An All-Atom Simulation Study of Nonameric Peptides in Inhibitory HLA-E/NKG2A/CD94 Immune Complexes за авторством Eva Prašnikar, Eva Prašnikar, Andrej Perdih, Andrej Perdih, Jure Borišek

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Discovery and Characterization of the Biflavones From Ginkgo biloba as Highly Specific and Potent Inhibitors Against Human Carboxylesterase 2 за авторством Yun-Qing Song, Yun-Qing Song, Rong-Jing He, Dan Pu, Dan Pu, Xiao-Qing Guan, Jin-Hui Shi, Yao-Guang Li, Jie Hou, Shou-Ning Jia, Wei-Wei Qin, Wei-Wei Qin, Sheng-Quan Fang, Guang-Bo Ge, Guang-Bo Ge

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