Search Results - "molecular dynamics"

In Vivo Pharmacodynamics of <i>Calophyllum soulattri</i> as Antiobesity with In Silico Molecular Docking and ADME/Pharmacokinetic Prediction Studies by Inarah Fajriaty, Hariyanto Ih, Irda Fidrianny, Neng Fisheri Kurniati, Muhammad Andre Reynaldi, I Ketut Adnyana, Rommy Rommy, Fransiska Kurniawan, Daryono Hadi Tjahjono

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Single Cell Analysis

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Functional analysis of a novel nonsense PPP1R12A variant in a Chinese family with infantile epilepsy by Ling Tong, Xinxin Wang, Huiqin Wang, Rong Yang, Xiaoyan Li, Xiaoguang Yin

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Targeting small druggable compounds against 3RZE histamine H1 receptor as potential of anti-allergic drug applying molecular modeling approach by Adeel Akram, Chia-Hung Su, Chun-Chong Fu

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Exercise improves choroid plexus epithelial cells metabolism to prevent glial cell-associated neurodegeneration by Yisheng Chen, Zhiwen Luo, Yaying Sun, Fangqi Li, Zhihua Han, Beijie Qi, Jinrong Lin, Wei-Wei Lin, Mengxuan Yao, Xueran Kang, Jiebin Huang, Chenyu Sun, Chenting Ying, Chenyang Guo, Yuzhen Xu, Jiwu Chen, Shiyi Chen

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Network pharmacology and experimental evidence reveal the protective mechanism of Yi-Qi Cong-Ming decoction on age-related hearing loss by Yi-Fang Yang, Xi-Rui Yan, Rui-Xin Wu, Ning Li, Min Chu, Yang Dong, Shu-Ping Fu, Jian-Rong Shi, Qing Liu

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In silico prediction of potential inhibitors for the main protease of SARS-CoV-2 using molecular docking and dynamics simulation based drug-repurposing by Yogesh Kumar, Harvijay Singh, Chirag N. Patel

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Phenyl glycine incorporated glitazones as promising novel antidiabetic agents through PPARγ agonism: Design, synthesis and preclinical studies by Subhankar Mandal, Devi Sri Chiriki, B.M. Gurupadayya, I.A. Chethan, B.R. Prashantha Kumar

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Cheminformatics and biomolecular dynamics studies towards the discovery of anti-staphylococcal nuclease domain-containing 1 (SND1) inhibitors to treat metastatic breast cancer by Nahlah Makki Almansour

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Z1456467176 alleviates gouty arthritis by allosterically modulating P2X7R to inhibit NLRP3 inflammasome activation by Xiaoling Li, Yiming Liu, Chengyu Luo, Jinhui Tao

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N-terminal domain of androgen receptor is a major therapeutic barrier and potential pharmacological target for treating castration resistant prostate cancer: a comprehensive review by Ye Chen, Tian Lan

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Appraisal of Bioactive Compounds of Betel Fruit as Antimalarial Agents by Targeting Plasmepsin 1 and 2: A Computational Approach by Fatimawali, Trina Ekawati Tallei, Billy Johnson Kepel, Mohammed Alorabi, Ahmed M. El-Shehawi, Widdhi Bodhi, Sefren Geiner Tumilaar, Ismail Celik, Gomaa Mostafa-Hedeab, Amany Abdel-Rahman Mohamed, Talha Bin Emran

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The Evaluation of Pharmacodynamics and Pharmacokinetics of Anti-thrombin DNA Aptamer RA-36 by Elena Zavyalova, Elena Zavyalova, Nadezhda Samoylenkova, Nadezhda Samoylenkova, Alexander Revishchin, Askar Turashev, Ilya Gordeychuk, Ilya Gordeychuk, Andrey Golovin, Andrey Golovin, Alexey Kopylov, Alexey Kopylov, Galina Pavlova, Galina Pavlova

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Computational biology and in vitro studies for anticipating cancer-related molecular targets of sweet wormwood (Artemisia annua) by Hend Dawood, Ismail Celik, Reham S. Ibrahim

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All-Trans-Retinoic Acid Suppresses Neointimal Hyperplasia and Inhibits Vascular Smooth Muscle Cell Proliferation and Migration via Activation of AMPK Signaling Pathway by Jingzhi Zhang, Jingzhi Zhang, Bo Deng, Bo Deng, Xiaoli Jiang, Xiaoli Jiang, Min Cai, Min Cai, Ningning Liu, Shuangwei Zhang, Shuangwei Zhang, Yongzhen Tan, Guiqiong Huang, Wen Jin, Bin Liu, Bin Liu, Shiming Liu

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Aromatic Rings Commonly Used in Medicinal Chemistry: Force Fields Comparison and Interactions With Water Toward the Design of New Chemical Entities by Marcelo D. Polêto, Victor H. Rusu, Bruno I. Grisci, Marcio Dorn, Roberto D. Lins, Hugo Verli

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Sex toys for pleasure, but there are risks: In silico toxicity studies of leached Micro/Nanoplastics and phthalates by Christian Ebere Enyoh, Qingyue Wang

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Structure-Based Virtual Screening of Furan-1,3,4-Oxadiazole Tethered <i>N</i>-phenylacetamide Derivatives as Novel Class of hTYR and hTYRP1 Inhibitors by Ali Irfan, Shah Faisal, Sajjad Ahmad, Sami A. Al-Hussain, Sadia Javed, Ameer Fawad Zahoor, Bushra Parveen, Magdi E. A. Zaki

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RETRACTED ARTICLE: Suppression of NF-κB signaling by ECN in an arthritic model of inflammation by Amna Khan, Li Zhang, Chang Hu Li, Ashraf Ullah Khan, Bushra Shal, Adnan Khan, Sajjad Ahmad, Fakhar ud Din, Zia ur rehman, Feng Wang, Salman Khan

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Design, Synthesis and Antimicrobial Potential of Conjugated Metallopeptides Targeting DNA by Maria Camila Moreno-Ramirez, Adriana Stefania Arias-Bravo, Alberto Aragón-Muriel, César Alonso Godoy, Yamil Liscano, Jose Oñate Garzón, Dorian Polo-Cerón

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