Biosynthesis, characterization, and in-vitro anticancer effect of plant-mediated silver nanoparticles using Acalypha indica Linn: In-silico approach by Luailik Madaniyah, Saidun Fiddaroini, Elok Kamilah Hayati, Moh. Farid Rahman, Akhmad Sabarudin

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Molecular docking of phytosterols in Stenochlaena palustris as anti-breast cancer by Dona Marisa, Lisda Hayatie, Siti Juliati, Eko Suhartono, Noer Komari

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Study on Pharmacodynamic Material Basis and Molecular Mechanism of Wutou Tang in Pain Relief Based on Computer Simulation by Chunsong ZHENG, Jie LIN, Changlong FU, Jinxia YE, Xiaojie XU, Hongzhi YE

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Discovery of novel PRMT1 inhibitors: a combined approach using AI classification model and traditional virtual screening by Jungan Zhang, Yixin Ren, Yixin Ren, Yun Teng, Han Wu, Jingsu Xue, Lulu Chen, Xiaoyue Song, Yan Li, Ying Zhou, Zongran Pang, Zongran Pang, Hao Wang, Hao Wang, Hao Wang

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Evaluation of hesperidin as a potential larvicide against Culex pipiens with computational prediction of its mode of action via molecular docking by Abdullah Haikal, Mahmoud Kamal, Eslam M. Hosni, Yhiya Amen

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Mechanisms of breast cancer treatment using Gentiana robusta: evidence from comprehensive bioinformatics investigation by Bo Xiong, Xinxin Zhang, Dongzhi Sangji, Lianghong Ni, Mingjie Fan, Beibei Fan

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Analysing the effect of Quinalphos pesticide on fish health through molecular docking studies and their eradication by photocatalytic degradation using Fe/S/TiO2 nanocomposite by Anisha Russelraj, Sibmah Stalin, Kirupa Jino

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Identification and the molecular mechanism of novel duck liver-derived anti-inflammatory peptides in lipopolysaccharide-induced RAW264.7 cell model by Xiankang Fan, Laidi Zhang, Yangying Sun, Changyu Zhou, Qiang Xia, Lihui Du, Zhen Wu, Daodong Pan

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Exploring the NANOG-TET2 interaction interface. Effects of a selected mutation and hypothesis on the clinical correlation with anemias by Claudia Testi, Roberta Piacentini, Roberta Piacentini, Alessandro Perrone, Chiara Bartoli, Daniele Leso, Domitilla Pavia, Elisa Pistolesi, Flavio Scipione, Irene Cotronea, Marco Adinolfi Falcone, Marco Ierani, Alberto Boffi, Lorenzo Di Rienzo

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Bidirectional approach of Punica granatum natural compounds: reduction in lung cancer and SARS-CoV-2 propagation by Md. Abul Barkat, Afreen Fatima, Bushra Riaz, Mohd. Zaheen Hassan, Tanveer Ahamad, Abdulkareem A. Alanezi, Harshita Barkat, Afaf F. Almuqati, Yahya I. Asiri, Sahabjada Siddiqui

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In silico study of Sambiloto (Andrographis paniculata) compounds from GC-MS and LC-MS/MS as alpha-glucosidase and DPP-4 enzyme inhibitor by Herni Kusriani, Purwaniati Purwaniati, Muhamad Ilham Bintang

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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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Exploring the antifungal potential of Cannabis sativa-derived stilbenoids and cannabinoids against novel targets through in silico protein interaction profiling by Kevser Kübra Kırboğa, Aman Karim, Ecir Uğur Küçüksille, Mithun Rudrapal, Johra Khan, Raghu Ram Achar, Ekaterina Silina, Natalia Manturova, Victor Stupin

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Structure- and Ligand-Based Virtual Screening for Identification of Novel TRPV4 Antagonists by Atefeh Saadabadi, Linda Wilkman, Marja Rantanen, Ari-Pekka Koivisto, Outi M. H. Salo-Ahen

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Molecular docking of ferulic acid, bakuchiol and niazirin on peroxisome proliferator-activated receptor gamma (PPAR-γ) as anti-diabetic agents by Anjar Hermadi Saputro, Riri Fauziyya, Sarmoko, Iwan Syahjoko Saputra

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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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Identification of egg protein-derived peptides as xanthine oxidase inhibitors: virtual hydrolysis, molecular docking, and in vitro activity evaluation by Zhipeng Yu, Yaxin Cao, Ruotong Kan, Huizhuo Ji, Wenzhu Zhao, Sijia Wu, Jingbo Liu, David Shiuan

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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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