Synthesis, Characterization, Molecular Docking, and In Silico ADME Study for Some New Different Derivatives for Succiniohydrazide by Asmaa A. Maryoosh, Oday H. R. Al-Jeilawi

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Effect of Acetyl tributyl citrate on bone metabolism based on network toxicology and molecular docking technology by Xuan Lin, Kun Lin, Yue Lai, Qingping Peng, Miao Xu, Yiting Xu, Jialin Yang, Huan Liu, Jianlin Shen

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Network Pharmacology and Molecular Docking Analyses of the Synergistic Mechanism of Babao Dan and Oxaliplatin in Colorectal Cancer by TAN Jingzhuang, HE Yanbin, HUANG Bin, LIN Jiumao

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In Vitro Antibacterial and Antioxidant Activities and Molecular Docking Analysis of Phytochemicals from Cadia purpurea Roots by Tsegu Kiros, Rajalakshmanan Eswaramoorthy, Yadessa Melaku, Aman Dekebo

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Mechanism of Cordyceps Cicadae in Treating Diabetic Nephropathy Based on Network Pharmacology and Molecular Docking Analysis by Yi Qian, Xin Sun, Xin Wang, Xin Yang, Mengyao Fan, Jiao Zhong, Zejun Pei, Junping Guo

“…To systematically study the mechanism of cordyceps cicadae in the treatment of diabetic nephropathy (DN) with the method of network pharmacology and molecular docking analysis, so as to provide theoretical basis for the development of new drugs for the treatment of DN. …”
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Proposing a new anti-Covid-19 agent by using molecular docking and dynamics simulations by Izabella Rodrigues Fonseca da Silva, Luís Felipe Guerreiro Martins, Julliane Yoneda

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Antibacterial, Antifungal and Cytotoxic Properties as well as Molecular Docking Evaluation of Green Synthesized Silver Nanoparticles by Mojgan Taebi, Mahnaz Amiri, Niloofar Rashidi, Mahsa Sistani, Sanaz Hadizadeh, Razieh Razavi, Ali Reza Farzinnejad, Meysam Ahmadi Zeidabadi, Somayeh Karami Mohajeri

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Exploration of analgesic and anthelmintic activities of Artocarpus chaplasha ROXB. leaves supported by in silico molecular docking by S M Sohag, Sharmin Nur Toma, Md. Niaj Morshed, Md. Al Imran Imon, Md. Monirul Islam, Md. Ibnul Piash, Naznin Shahria, Imran Mahmud

“…ADMET properties and molecular docking analysis were performed using the identified compounds and analgesic targets COX-1 and COX-2 and the anthelmintic target tubulin-colchicine. …”
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Design, synthesis and molecular docking of novel triazole derivatives as potential CoV helicase inhibitors by Zaher Nashwa Hafez, Mostafa Mohammed Ismail, Altaher Abdullah Yousef

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Exploring the Mechanism of Antioxidant Action of Bitter Almond Based on Network Pharmacology and Molecular Docking Techniques by Xuehua Feng, Jingya Niu, Zurong Song, Ali Tao, Rumin Zong, Wenqing Pei, Panpan Gong

“…Finally, SailVina software was used to molecularly dock the major active ingredients and target proteins and visualize them using PyMOL software. …”
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Fluconazole-Like Compounds as Potential Antifungal Agents: QSAR, Molecular Docking, and Molecular Dynamics Simulation by Farnaz Salehi, Leila Emami, Zahra Rezaei, Soghra Khabnadideh, Behnaz Tajik, Razieh Sabet

“…The molecular docking studies revealed an interesting binding profile with very high receptor affinity to the CYP51 active site. …”
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Collaborative Transport Strategy for Dual AGVs in Smart Ports: Enhancing Docking Accuracy in No-Load Formations by Qiang Zhang, Wenfeng Li, Long Guo, Xiaohang Qi

“…The results show it significantly enhances the dual AGVs’ motion safety and docking accuracy, providing new insights for smart port development.…”
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Mechanism of <italic>Hedyotis Diffusa</italic> in Treatment of Osteosarcoma based on Network Pharmacology and Molecular Docking by Qin LIU, Xinwei DUAN, Xihai LI

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Piperazine sulfonamides as DPP-IV inhibitors: Synthesis, induced-fit docking and in vitro biological evaluation by Khalaf Reema Abu, Alwarafi Ebtisam, Sabbah Dima

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Investigation of Interactions between Thrombin and Ten Phenolic Compounds by Affinity Capillary Electrophoresis and Molecular Docking by Qiao-Qiao Li, Yu-Xiu Yang, Jing-Wen Qv, Guang Hu, Yuan-Jia Hu, Zhi-Ning Xia, Feng-Qing Yang

“…In this study, affinity capillary electrophoresis (ACE) and in silico molecular docking methods were developed to study the interaction between thrombin and ten phenolic compounds (p-hydroxybenzoic acid, protocatechuic acid, vanillic acid, gallic acid, catechin, epicatechin, dihydroquercetin, naringenin, apigenin, and baicalein). …”
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CHEMOTYPE VERBOCCIDENTAFURAN IN Baccharis punctulata (Asteraceae): FURANIC SESQUITERPENES CORRELATION AND MOLECULAR DOCKING INTO THE BENZODIAZEPINE RECEPTOR by Jociani Ascari, Murilo S. de Oliveira, André L. Rüdiger, Elaine Elisabetsky, Domingos S. Nunes, Jorge Iulek, Dilamara R. Scharf, Gustavo Heiden

“…Considering the occurrence and availability of 1 in the species B. punctulata and its structural similarity to compound 2, docking calculations were performed for the interaction of both compounds with the human a1-ß2-y2 GABAA receptor. …”
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A 6D Object Pose Estimation Algorithm for Autonomous Docking with Improved Maximal Cliques by Zhenqi Han, Lizhuang Liu

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Interaction of norsecurinine-type monomeric and dimeric alkaloids with α-tubulin: a molecular docking study by Gérard Vergoten, Christian Bailly

“…Royle, was investigated using molecular docking. Methods: Two molecular models were initially compared for the binding of securinine to α/β-tubulin. …”
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Clinical study, network pharmacology, and molecular docking of Kunxian capsule in treating idiopathic membranous nephropathy by Jia Lv, Xinyu Gao, Lihua Liu, Libing He, Geng Tian, Xuehong Lu

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Inhibition of RAC1 activator DOCK2 ameliorates cholestatic liver injury via regulating macrophage polarisation and hepatic stellate cell activation by Jianli Qiu, Yitong Qu, Yinli Li, Cancan Li, Junling Wang, Lu Meng, Xiaojin Jing, Jiangping Fu, Yan Xu, Yuna Chai

Subjects: “…DOCK2…”
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