Network Pharmacology, Molecular Docking, and Molecular Dynamics Analysis of Honokiol against Triple-negative Breast Cancer by Hassan H. Alhassan

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Elucidation of the Inhibitory Effect of Phytochemicals with Kir6.2 Wild-Type and Mutant Models Associated in Type-1 Diabetes through Molecular Docking Approach by Manaswini Jagadeb, V Badireenath Konkimalla, Surya Narayan Rath, Rohit Pritam Das

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Corrigendum: Efficacy of Oroxylin A in ameliorating renal fibrosis with emphasis on Sirt1 activation and TGF-β/Smad3 pathway modulation by Guangzhuang Li, Sentao Xian, Xianchao Cheng, Yunhua Hou, Wenqing Jia, Yukui Ma

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Unveiling the toxicity of JWH-018 and JWH-019: Insights from behavioral and molecular studies in vivo and vitro by Fenghua Zhou, Yan Shi, Sujun Tan, Xiaoli Wang, Weicheng Yuan, Shuqi Tao, Ping Xiang, Bin Cong, Chunling Ma, Di Wen

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Structural and in silico studies of 2-pyridyl-decorated 2-amino-1,3,5-triazine with a potency against SARS-CoV-2 proteins by Safin, Damir A.

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Essential oils from Amorpha fruticosa against hepatocellular carcinoma based on network pharmacology by Yixian Liu, Xiaojun Zhang, Jiacong Hao, Ying Zhao, Min Zou, Huiping Chen, Jintao Zhang

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Biological evaluation and interaction mechanism of beta-site APP cleaving enzyme 1 inhibitory pentapeptide from egg albumin by Zhipeng Yu, Sijia Wu, Wenzhu Zhao, Long Ding, David Shiuan, Fuping Zheng, Jianrong Li, Jingbo Liu

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Structural requirements and interaction mechanisms of ACE inhibitory peptides: molecular simulation and thermodynamics studies on LAPYK and its modified peptides by Biying Zhang, Jingbo Liu, Hedi Wen, Feng Jiang, Erlei Wang, Ting Zhang

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QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP AND MOLECULAR DOCKING STUDIES OF HYDROXAMIC ACID DERIVATIVES AS NOVEL CLASS INHIBITORS AGAINST HELICOBACTER PYLORI UREASE by Ibrahim Tijjani Ibrahim, Adamu Uzairu, Balarabe Sagagi

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Development of a novel multi-epitope subunit mRNA vaccine candidate to combat Acinetobacter baumannii by Shiyang Ma, Fei Zhu, Peipei Zhang, Yizhong Xu, Ziyou Zhou, Hang Yang, Caixia Tan, Jie Chen, Pinhua Pan

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Identification of novel saltiness/saltiness enhancing peptides in egg proteins: Molecular docking, action mechanism and in vitro activity validation by Yaxin Cao, Linyuezhi Yan, Di Liu, Qian Zhang, Wenzhu Zhao, Lin Yuan, Yiding Yu, Zhipeng Yu

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Carboxymethyl cellulose/shellac composite loaded with pomegranate extract and jojoba oil as anti-mycotic and anti-mycotoxigenic food packaging materials by Salah A. A. Mohamed, Amr Farouk, Adel G. Abdel-Razek, El-Shahat Nashy, Mohamed El-Sakhawy, Ahmed Noah Badr

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Ellagic acid: A potent glyoxalase-I inhibitor with a unique scaffold by Al-Shar’i Nizar A., Al-Balas Qosay A., Hassan Mohammad A., El-Elimat Tamam M., Aljabal Ghazi A., Almaaytah Ammar M.

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Exploring the therapeutic potential of 18β-Glycyrrhetinic acid in pulmonary arterial hypertension by integrating network pharmacology and experimental validation by Wenli Yang, Long Ma, Meidong Si, Fang Zhao, Ru Zhou

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Discovery of Anti-inflammatory Peptides from Channa argus Using Virtual Screening, Molecular Docking, and Cell Model by XIANG Huan, LU Meiming, CHEN Shengjun, HUANG Hui, HU Xiao, ZHAO Yongqiang, WEI Ya

Subjects: “…channa argus; anti-inflammatory peptides; virtual screening; molecular docking; cell model…”
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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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Two previously undescribed triterpenoid saponins from the roots and rhizomes of Caulophyllum robustum Maxim by Cong-Yu Zhang, Yu-Mei Wang, Peng-Cheng Qiu, Jia-Yu Feng, Bing-Wen Wang, Yu Cao, Yi-Sha Wei, Yi-Tong Zhou, Hai-Feng Tang, Yun-Yang Lu, Qian Zhang

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Heterogeneous graph convolutional neural network for protein-ligand scoring by Kevin Crampon, Alexis Giorkallos, Xavier Vigouroux, Stephanie Baud, Luiz Angelo Steffenel

Subjects: “…molecular docking…”
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Chemical, Spectral, Biological, and Toxicological Studies of Some Benzene Derivatives Used in Pharmaceuticals: In Silico Approach by Emranul Kabir, M R O Khan Noyon, Md Rabiul Alam, Mr. Nasiruddin, Sajia Islam, Mahima Akter, Monir Uzzaman

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Spectroscopic (FT-IR and FT-Raman) and quantum chemical study on monomer and dimer of benznidazole from DFT and molecular docking approaches by Tirth Raj Paneru, Manoj Kumar Chaudhary, Poonam Tandon, Bhawani Datt Joshi, Beatriz Pinheiro Bezerra, Alejandro Pedro Ayala

Subjects: “…Molecular docking…”
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