Rezultati pretrage - "molecular dynamics"

In-silico study of small cell lung cancer based on protein structure and function: A new approach to mimic biological system od Nidhi Sood, Sameer Chaudhary, Tanvee Pardeshi, Shama Mujawar, Krishna Balaji Deshmukh, Saba Afrin Sheikh, Preety Sharma

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Flavonoids as potential inhibitors of dengue virus 2 (DENV2) envelope protein. od Rachel Raditya Renantha, Alvin Richardo Liga, Christy Bianca Tanugroho, Lovine Xaviera Denovian, Siti Lateefa Az Zahra Budiyanto, Arli Aditya Parikesit

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Deciphering quinazoline derivatives' interactions with EGFR: a computational quest for advanced cancer therapy through 3D-QSAR, virtual screening, and MD simulations od Sirajudheen Anwar, Jowaher Alanazi, Nafees Ahemad, Shafaq Raza, Tahir Ali Chohan, Hammad Saleem

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Cheminformatics Bioprospection of Sunflower Seeds' Oils against Quorum Sensing System of <i>Pseudomonas aeruginosa</i> od Nosipho Wendy S'thebe, Jamiu Olaseni Aribisala, Saheed Sabiu

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Designing Short Peptides to Block the Interaction of SARS-CoV-2 and Human ACE2 for COVID-19 Therapeutics od Abdul Basit, Asad Mustafa Karim, Muhammad Asif, Tanveer Ali, Jung Hun Lee, Jeong Ho Jeon, Shafiq ur Rehman, Sang Hee Lee

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Triphenilphosphonium Analogs of Chloramphenicol as Dual-Acting Antimicrobial and Antiproliferating Agents od Julia A. Pavlova, Zimfira Z. Khairullina, Andrey G. Tereshchenkov, Pavel A. Nazarov, Dmitrii A. Lukianov, Inna A. Volynkina, Dmitry A. Skvortsov, Gennady I. Makarov, Etna Abad, Somay Y. Murayama, Susumu Kajiwara, Alena Paleskava, Andrey L. Konevega, Yuri N. Antonenko, Alex Lyakhovich, Ilya A. Osterman, Alexey A. Bogdanov, Natalia V. Sumbatyan

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Structure-guided design and cloning of peptide inhibitors targeting CDK9/cyclin T1 protein-protein interaction od Mohammad Sadegh Taghizadeh, Mohsen Taherishirazi, Ali Niazi, Alireza Afsharifar, Ali Moghadam

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SELECTION OF FILMPROOFERS IN MICROCAPSULATION OF VINPOCETIN od Yu. A. Polkovnikova, A. A. Glushko

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Discovery of human coronaviruses pan-papain-like protease inhibitors using computational approaches od Mubarak A. Alamri, Muhammad Tahir ul Qamar, Muhammad Usman Mirza, Safar M. Alqahtani, Matheus Froeyen, Ling-Ling Chen

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Kaurane-Type Diterpenoids as Potential Inhibitors of Dihydrofolate Reductase-Thymidylate Synthase in New World <i>Leishmania</i> Species od Chonny Herrera-Acevedo, Renata Priscila Barros de Menezes, Natália Ferreira de Sousa, Luciana Scotti, Marcus Tullius Scotti, Ericsson Coy-Barrera

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Benzimidazoles Containing Piperazine Skeleton at C-2 Position as Promising Tubulin Modulators with Anthelmintic and Antineoplastic Activity od Kameliya Anichina, Anelia Mavrova, Dimitar Vuchev, Galya Popova-Daskalova, Giada Bassi, Arianna Rossi, Monica Montesi, Silvia Panseri, Filip Fratev, Emilia Naydenova

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Fenticonazole nitrate loaded trans-novasomes for effective management of tinea corporis: design characterization, in silico study, and exploratory clinical appraisal od Rofida Albash, Maha H. Ragaie, Mahmoud A. El Hassab, Radwan El-Haggar, Wagdy M. Eldehna, Sara T. Al-Rashood, Shaimaa Mosallam

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Elucidation of the binding mechanism of astragaloside IV derivative with human serum albumin and its cardiotoxicity in zebrafish embryos od You-Jiao Wu, Zhan-Hua Li, Jiu-Yan Li, Yan Zhou, Run-Yue Wang, Xiao-Yi Chen, Lin-Sen Qing, Pei Luo

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In Silico Characterization and Analysis of Clinically Significant Variants of Lipase-H (LIPH Gene) Protein Associated with Hypotrichosis od Hamza Ali Khan, Muhammad Umair Asif, Muhammad Khurram Ijaz, Metab Alharbi, Yasir Ali, Faisal Ahmad, Ramsha Azhar, Sajjad Ahmad, Muhammad Irfan, Maryana Javed, Noorulain Naseer, Abdul Aziz

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Impact of drug loading in mesoporous silica-amorphous formulations on the physical stability of drugs with high recrystallization tendency od Rayane S.C.M.Q. Antonino, Michael Ruggiero, Zihui Song, Thais Leite Nascimento, Eliana Martins Lima, Adam Bohr, Matthias Manne Knopp, Korbinian Löbmann

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In silico study: secondary metabolites from malay apple (Syzygium malaccense (L.) Merr. & L.M. Perry) as potential breast cancer treatments od Riska Prasetiawati, Nawadhir Fauzan, Meilia Suherman

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In Silico Mapping of Essential Residues in the Catalytic Domain of PDE5 Responsible for Stabilization of Its Commercial Inhibitors od Ivan Pires de Oliveira, Caroline Honaiser Lescano, Gilberto De Nucci

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De Novo Class of Momordicoside with Potent and Selective Tumor Cell Growth Inhibitory Activity as Pyruvate Kinase Muscle Isozyme 2 and Anti-apoptotic Myeloid Leukemia 1 Inhibitors od Tope Abraham Ibisanmi, ‪Jamiu Olaseni Aribisala, Peace Ifeoma Odjegba, Damilola Ademuyi, Ayomide Akinmusere, Faith I Ajayi

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Common Structural Pattern for Flecainide Binding in Atrial-Selective K_v1.5 and Na_v1.5 Channels: A Computational Approach od Yuliet Mazola, José C. E. Márquez Montesinos, David Ramírez, Leandro Zúñiga, Niels Decher, Ursula Ravens, Vladimir Yarov-Yarovoy, Wendy González

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Microglia Specific Drug Targeting Using Natural Products for the Regulation of Redox Imbalance in Neurodegeneration od Shashank Kumar Maurya, Neetu Bhattacharya, Suman Mishra, Amit Bhattacharya, Pratibha Banerjee, Sabyasachi Senapati, Rajnikant Mishra

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