Search Results - "molecular dynamics"

α-Glucosidase, butyrylcholinesterase and acetylcholinesterase inhibitory activities of phenolic compounds from Carthamus tinctorius L. flowers: In silico and in vitro studies by Jawaher A.M. Alotaibi, Alaa Sirwi, Ali M. El-Halawany, Ahmed Esmat, Gamal A. Mohamed, Sabrin R.M. Ibrahim, Abdulrahim A. Alzain, Taher F. Halawa, Martin Safo, Hossam M. Abdallah

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Mitochondrial Peroxiredoxin 3 Is Rapidly Oxidized and Hyperoxidized by Fatty Acid Hydroperoxides by Giuliana Cardozo, Mauricio Mastrogiovanni, Ari Zeida, Nicolás Viera, Rafael Radi, Aníbal M. Reyes, Madia Trujillo

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Solvent Free Twin Screw Processed Silybin Nanophytophospholipid: In Silico, In Vitro and In Vivo Insights by Gasper Fernandes, Sai Lalitha Alekhya Pusuluri, Ajinkya Nitin Nikam, Sumit Birangal, Gautham G. Shenoy, Srinivas Mutalik

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Schisandrin B protects against angiotensin II-induced endotheliocyte deficits by targeting Keap1 and activating Nrf2 pathway by Han J, Shi X, Zheng Z, Zhang B, Shi F, Jiang L, Xu J

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New (Iso)quinolinyl-pyridine-2,6-dicarboxamide G-Quadruplex Stabilizers. A Structure-Activity Relationship Study by Enrico Cadoni, Pedro R. Magalhães, Rita M. Emídio, Eduarda Mendes, Jorge Vítor, Josué Carvalho, Carla Cruz, Bruno L. Victor, Alexandra Paulo

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Antitubercular, Cytotoxicity, and Computational Target Validation of Dihydroquinazolinone Derivatives by Katharigatta N. Venugopala, Nizar A. Al-Shar'i, Lina A. Dahabiyeh, Wafa Hourani, Pran Kishore Deb, Melendhran Pillay, Bashaer Abu-Irmaileh, Yasser Bustanji, Sandeep Chandrashekharappa, Christophe Tratrat, Mahesh Attimarad, Anroop B. Nair, Nagaraja Sreeharsha, Pottathil Shinu, Michelyne Haroun, Mahmoud Kandeel, Abdulmalek Ahmed Balgoname, Rashmi Venugopala, Mohamed A. Morsy

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Fludarabine, a Potential DNA-Dependent RNA Polymerase Inhibitor, as a Prospective Drug against Monkeypox Virus: A Computational Approach by Hisham N. Altayb

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Identification and neuroprotective properties of NA‐184, a calpain‐2 inhibitor by Michel Baudry, Yubin Wang, Xiaoning Bi, Yun Lyna Luo, Zhijun Wang, Zeechan Kamal, Alexander Shirokov, Ed Sullivan, Dennis Lagasca, Hany Khalil, Gary Lee, Kathy Fosnaugh, Philippe Bey, Shujaath Mehdi, Greg Coulter

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NGIWY-Amide: A Bioinspired Ultrashort Self-Assembled Peptide Gelator for Local Drug Delivery Applications by Nikoleta F. Theodoroula, Christina Karavasili, Manos C. Vlasiou, Alexandra Primikyri, Christia Nicolaou, Alexandra V. Chatzikonstantinou, Aikaterini-Theodora Chatzitaki, Christos Petrou, Nikolaos Bouropoulos, Constantinos K. Zacharis, Eleftheria Galatou, Yiannis Sarigiannis, Dimitrios G. Fatouros, Ioannis S. Vizirianakis

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In silico approach for the development of phenolic derivatives as potential anti-angiogenic agents against lysyl oxidase-like 2 enzyme by Muhammad Tahir Aqeel, Nisar-, Arif-ullah Khan, Zaman Ashraf, Samiullah Khan, Muazzam Arif

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Characterization of Potent ABCG2 Inhibitor Derived from Chromone: From the Mechanism of Inhibition to Human Extracellular Vesicles for Drug Delivery by Glaucio Valdameri, Diogo Henrique Kita, Julia de Paula Dutra, Diego Lima Gomes, Arun Kumar Tonduru, Thales Kronenberger, Bruno Gavinho, Izadora Volpato Rossi, Mariana Mazetto de Carvalho, Basile Pérès, Ingrid Fatima Zattoni, Fabiane Gomes de Moraes Rego, Geraldo Picheth, Rilton Alves de Freitas, Antti Poso, Suresh V. Ambudkar, Marcel I. Ramirez, Ahcène Boumendjel, Vivian Rotuno Moure

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GSK3β-dependent lysosome biogenesis: An effective pathway to mitigate renal fibrosis with LM49 by Jinhong Ren, Jinhong Ren, Huizhi Wei, Jian Sun, Xiue Feng, Yuanlin Zhang, Hongxia Yuan, Junqiu Miao, Xiaoming Qi, Xiaoming Qi, Yuanbiao Qiao, Baoguo Xiao, Qingshan Li, Qingshan Li

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In Silico Prediction of <i>Plasmodium falciparum</i> Cytoadherence Inhibitors That Disrupt Interaction between gC1qR-DBLβ12 Complex by Abdul Hafiz, Rowaida Bakri, Mohammad Alsaad, Obadah M. Fetni, Lojain I. Alsubaihi, Hina Shamshad

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Discovery of Potent EGFR Inhibitors With 6-Arylureido-4-anilinoquinazoline Derivatives by Meng Li, Na Xue, Xingang Liu, Qiaoyun Wang, Hongyi Yan, Yifan Liu, Lei Wang, Xiaowei Shi, Deying Cao, Kai Zhang, Yang Zhang

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Hyperoxidation of Peroxiredoxin 6 Induces Alteration from Dimeric to Oligomeric State by Sharifun Shahnaj, Rimpy Kaur Chowhan, Potshangbam Angamba Meetei, Pushpa Kakchingtabam, Khundrakpam Herojit Singh, Laishram Rajendrakumar Singh, Potshangbam Nongdam, Aron B. Fisher, Hamidur Rahaman

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Adsorption/Desorption of Cationic-Hydrophobic Peptides on Zwitterionic Lipid Bilayer Is Associated with the Possibility of Proton Transfer by Lea Pašalić, Andreja Jakas, Barbara Pem, Danijela Bakarić

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Design, Synthesis, and In Vitro, In Silico and In Cellulo Evaluation of New Pyrimidine and Pyridine Amide and Carbamate Derivatives as Multi-Functional Cholinesterase Inhibitors by Martina Bortolami, Fabiana Pandolfi, Valeria Tudino, Antonella Messore, Valentina Noemi Madia, Daniela De Vita, Roberto Di Santo, Roberta Costi, Isabella Romeo, Stefano Alcaro, Marisa Colone, Annarita Stringaro, Alba Espargaró, Raimon Sabatè, Luigi Scipione

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Analyzing PKC Gamma (+ 19,506 A/G) polymorphism as a promising genetic marker for HCV-induced hepatocellular carcinoma by Fizzah Abid, Talha Iqbal, Khushbukhat Khan, Yasmin Badshah, Janeen H Trembley, Naeem Mahmood Ashraf, Maria Shabbir, Tayyaba Afsar, Ali Almajwal, Suhail Razak

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Molecular Docking Screening and Pharmacokinetic Studies of Some Boron-Pleuromutilin Analogues against Possible Targets of Wolbachia pipientis by Fabian Audu Ugbe, Gideon Adamu Shallangwa, Adamu Uzairu, Ibrahim Abdulkadir

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Identification of potential inhibitors for drug-resistant EGFR mutations in non-small cell lung cancer using whole exome sequencing data by Nagasundaram Nagarajan, Chittibabu Guda, Chittibabu Guda

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