Identification and molecular mechanism of angiotensin-converting enzyme inhibitory peptides from Larimichthys crocea titin by Yue Fan, Zhipeng Yu, Wenzhu Zhao, Long Ding, Fuping Zheng, Jianrong Li, Jingbo Liu

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Exploring the antiviral potential of shikimic acid against Chikungunya virus through network pharmacology, molecular docking, and in vitro experiments by Jialiang Xin, Xingxing Song, Haohong Zheng, Wenjing Li, Yuyang Qin, Wei Wang, Wei Wang, He Zhang, Guangneng Peng

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Fragment optimized chalcone derivatives targeting OmpA protein as a therapeutic approach against multidrug resistant Acinetobacter baumannii by Muhammad Naveed, Amina Abid, Tariq Aziz, Ayesha Saleem, Arooj Arshad, Khushbakht Javed, Hafiz Muzzammel Rehman, Ghulam Nabi, Mitub Al-harbi, Abdullah F. Alasmari

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Comprehensive multispectral and computational study of isoxazolidine derivative ‘ISoXD3’: Synthesis, spectral characteristics, DNA binding, and comparative effects of allyl and pro... by Ibrahim A. Alhagri, Siwar Ghannay, Norah A. Al-Suwailem, Rania Hussien Al-Ashwal, Sadeq M. AlHazmy, Sabri Messaoudi, Kaiss Aouadi

Subjects: “…Molecular docking simulation…”
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Virtual screening, molecular docking and identification of umami peptides derived from Oncorhynchus mykiss by Wenzhu Zhao, Lijun Su, Shitong Huo, Zhipeng Yu, Jianrong Li, Jingbo Liu

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Identification of Suitable Natural Inhibitor against Influenza A (H1N1) Neuraminidase Protein by Molecular Docking by Maheswata Sahoo, Lingaraja Jena, Surya Narayan Rath, Satish Kumar

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Elucidating Molecular Interactions of Natural Inhibitors with HPV-16 E6 Oncoprotein through Docking Analysis by Satish Kumar, Lingaraja Jena, Sneha Galande, Sangeeta Daf, Kanchan Mohod, Ashok K. Varma

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Exploring the anticancer potential of Hewittia malabarica through phytochemical analysis and molecular docking study by Shiji Thozhukkad Moosaripparambil, Kannan Vadakkadath Meethal

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Elucidating the mechanism of phthalates induced osteoporosis through network toxicology and molecular docking by Xiao Zhang, Xi Zhu, Wenbo Gu, Xusheng Li, Tenyao Niu, Pengcheng Mao, Haifeng Yuan

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Anti-melanogenic effects of hydroxyethyl chrysin through the inhibition of tyrosinase activity: In vitro and in silico approaches by Yuna Lee, Ha-Yeon Song, Eui-Baek Byun

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Stereospecific α-glucosidase inhibition, kinetics, and molecular docking studies on isolated diastereomeric alkaloids from Uncaria longiflora by Nurul Aina Suzlin Sulaiman, Muhammad Farhan Syakir Nor Azman, Mohd Fadhlizil Fasihi Mohd Aluwi, Zainul Amiruddin Zakaria, Mohammad Jemain Mohammad Ridhwana, Fatimah Salim

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Immunomodulatory effect of ethanol-soluble oligopeptides from Atlantic cod (Gadus morhua) by Zhen Yuan, Meilian Yang, Dongyang Zhu, Di Wu, Shuzhen Cheng, Chao Wu, Hesham R. El-Seedi, Ming Du

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Antistaphylococcal Triazole-Based Molecular Hybrids: Design, Synthesis and Activity by Kostiantyn Shabelnyk, Alina Fominichenko, Oleksii Antypenko, Olexandr Gaponov, Svitlana Koptieva, Svitlana Shyshkina, Oleksii Voskoboinik, Sergiy Okovytyy, Serhii Kovalenko, Valentyn Oksenych, Oleksandr Kamyshnyi

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Network Pharmacology Suggests Mechanisms for Therapeutic Effects of Caulis Sinomenii on Avian Gout by Guanyang Li, Junfei Xu, Huanhuan Li, Wenxin Yan, Fengting Chen, Anwen Yuan, Juzuo Zhang

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Plant Compounds Inhibit the Growth of W12 Cervical Precancer Cells Containing Episomal or Integrant HPV DNA; Tanshinone IIA Synergizes with Curcumin in Cervical Cancer Cells by Linda Saxe Einbond, Jing Zhou, Kunhui Huang, Mario R. Castellanos, Emeka Mbazor, Michael Balick, Hongbao Ma, James A. DeVoti, Stephen Redenti, Hsan-au Wu

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Integrative bioinformatic approach reveals novel melatonin-related biomarkers for Alzheimer’s disease by Hua-xiong Zhang, Dilmurat Hamit, Qing Li, Xiao Hu, San-feng Li, Fu Xu, Ming-yuan Wang, Guo-qing Bao, Hong-yan Li

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Multiple ligands simultaneous molecular docking and dynamics approach to study the synergetic inhibitory of curcumin analogs on ErbB4 tyrosine phosphorylation by La Ode Aman, Netty Ino Ischak, Teti Sutriyati Tuloli, Arfan Arfan, Aiyi Asnawi

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Docking to Explicate Interface between Plant-Originated Inhibitors and E6 Oncogenic Protein of Highly Threatening Human Papillomavirus 18 by Satish Kumar, Lingaraja Jena, Maheswata Sahoo, Mrunmayi Kakde, Sangeeta Daf, Ashok K. Varma

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Deep learning-based discovery of compounds for blood pressure lowering effects by Rongzhen Li, Tianchi Wu, Xiaotian Xu, Xiaoqun Duan, Yuhui Wang

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Alleviatory efficacy of achillea millefolium L. in etoxazole-mediated toxicity in allium cepa L by Zeynep Şule Topatan, Tuğçe Kalefetoğlu Macar, Oksal Macar, Emine Yalçin, Kültiğin Çavuşoğlu, Ali Acar, Fatih Kutluer

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