Design and Mechanism Study of 6c, a Novel Artesunate Derivatives, for Anti-Hepatocellular Carcinoma by Xiong SS

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Comparative study of the effects of different lipid oxidation simulation systems on the physicochemical properties of proteins isolated from four cultivated walnut (Juglans sigilla... by Wenyun Xiong, Lixin Ding, Wendie Cui, Lei Zhao, Shengbao Cai

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Network pharmacology and in silico investigation into the therapeutic potential of phytoconstituents of Peucedanum ostruthium as anti-tubercular agents by Neeru Bhanwala, Raunak Katiyar, Sumit Kumar, Ashok K. Datusalia, Gopal L. Khatik

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New derivatives of sulfonylhydrazone as potential antitumor agents: Design, synthesis and cheminformatics evaluation by Sabbah Dima A., Al-Azaideh Bara’a A., Talib Wamidh H., Hajjo Rima, Sweidan Kamal, Al-Zuheiri Aya M., Sheikha Ghassan Abu, Shraim Sawsan

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Investigation of Scutellaria Barbata’s immunological mechanism against thyroid cancer using network pharmacology and experimental validation by Gen Ouyang, Yuangui Zhu, Zhehao Ouyang

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Screening hepatoprotective effective components of Lonicerae japonica Flos based on the spectrum-effect relationship and its mechanism exploring by Song Wang, Lin Yang, Ajiao Hou, Songtao Liu, Liu Yang, Haixue Kuang, Hai Jiang

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Exploration of alcohol dehydrogenase EutG from Bacillus tropicus as an eco-friendly approach for the degradation of polycyclic aromatic compounds by Muhammad Naveed, Fatima Iqbal, Tariq Aziz, Ayesha Saleem, Tayyab Javed, Mahrukh Afzal, Muhammad Waseem, Metab Alharbi, Thamer H. Albekairi

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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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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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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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Targeting SLC4A4: A Novel Approach in Colorectal Cancer Drug Repurposing by Krunal Pawar, Pramodkumar P. Gupta, Pooran Singh Solanki, Ravi Ranjan Kumar Niraj, Shanker L. Kothari

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Corallocarpus glomeruliflorus: Pharmacological potential revealed by phytochemical and in silico investigations by Fatima Saleh Naji Bin-Asal, Adel A.M. Saeed, Abdul-Rahman Alawi Bin Yahia

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Bioassays and virtual screening to identify potent natural antifouling compounds from the brown macroalga Dictyota dichotoma by Ba-akdah Mohammad Abdulaziz, Satheesh Sathianeson

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Design, synthesis and evaluation of benzofuran-acetamide scaffold as potential anticonvulsant agent by Shakya Ashok K., Kamal Mehnaz, Balaramnavar Vishal M., Bardaweel Sanna K., Naik Rajashri R., Saxena Anil K., Siddiqui H. H.

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Extraction, GC-MS analysis, cytotoxic, anti-inflammatory and anticancer potential of Cannabis sativa female flower; in vitro, in vivo and in silico by Waqas Safir, Arif Malik, Arif Malik, Haleema Saadia, Ayesha Zahid, Jinyao Li

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