Works about MOLECULAR docking

Results: 5000
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    Multifunctional properties of Phlomis aurea extracts: In-vitro antioxidant, antimicrobial, anticancer, potent repellency against two mosquito vectors and molecular docking studies.

    Published in:
    Applied Biological Chemistry, 2025, v. 68, n. 1, p. 1, doi. 10.1186/s13765-025-00982-2
    By:
    • El-Tabakh, Mohamed A. M.;
    • Shehata, Ahmed Z. I.;
    • Sadek, Ahmed M.;
    • Salem, Salem S.;
    • Elmehdawy, Ahmed A.;
    • Nazih, Mahmoud;
    • Omar, Gamal M.;
    • Elsoud, Ahmed A. Abo;
    • Abdel-Aziz, Ahmed N. G.;
    • El-Abeid, Sozan Eid;
    • Abd-Elkhalek, Heba F.;
    • Arief, Omnia M.
    Publication type:
    Article
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    Potential of rutin from Rhizophora mucronata leaves as a Inhibitor of Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2 related factor 2 Keap1/Nrf2): An in silico study for Alzheimer's therapy.

    Published in:
    Journal of Advanced Pharmaceutical Technology & Research, 2025, v. 16, n. 2, p. 73, doi. 10.4103/JAPTR.JAPTR_313_24
    By:
    • Saputri, Legis Ocktaviana;
    • Permatasari, Lina;
    • Harahap, Herpan Syafii;
    • Rosyidi, Rohadi Muhammad;
    • Rivarti, Arina Windri;
    • Prihatina, Lale Maulin;
    • Rahayu, Zilfia;
    • Azariani, Wiwin
    Publication type:
    Article
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    Targeting Nudix Hydrolase 5 with Bioactive Flavonoids: Molecular Dynamics and Docking Studies for Breast Cancer Therapy.

    Published in:
    Cell Biochemistry & Biophysics, 2025, v. 83, n. 2, p. 1973, doi. 10.1007/s12013-024-01609-x
    By:
    • Dhanasekaran, Sivaraman;
    • Selvadoss, Pradeep Pushparaj;
    • Manoharan, Solomon Sundar;
    • Jeyabalan, Srikanth;
    • Muthu Laxmi, V.;
    • Choudhury, Abbas Alam;
    • Rajeswari, Vijayarangan Devi;
    • Ramanathan, Gnanasambandan;
    • Thamaraikani, Tamilanban;
    • Subramaniyan, Vetriselvan;
    • Sekar, Mahendran;
    • Shing, Wong Ling
    Publication type:
    Article
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    Design, synthesis and in silico molecular modelling studies of 2-Hydrazineyl-2-oxoethyl-4-(1H-pyrrol-1-yb) benzoate derivatives: a potent dual DHFR and ENR-reductase inhibitors with antitubercular, antibacterial and cytotoxic potential.

    Published in:
    PLoS ONE, 2025, v. 20, n. 5, p. 1, doi. 10.1371/journal.pone.0323702
    By:
    • Mahnashi, Mater H.;
    • Ramachandraiah, Prem Kumar Santhemavathuru;
    • Al Awadh, Ahmed Abdullah;
    • Almazni, Ibrahim Abdullah;
    • Asiri, Yahya I.;
    • Shaikh, Ibrahim Ahmed;
    • Mannasaheb, Basheerahmed Abdulaziz;
    • Avunoori, Sravanthi;
    • Khan, Aejaz Abdullatif;
    • Joshi, Shrinivas D.
    Publication type:
    Article
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    Identifying potential Q-markers for quality evaluation of Zhenyuan capsule by integrating chemical analysis, network pharmacology, molecular docking, and molecular dynamics simulations.

    Published in:
    Natural Product Research, 2025, v. 39, n. 10, p. 2842, doi. 10.1080/14786419.2024.2319650
    By:
    • Zhao, Zixuan;
    • Yang, Qinwen;
    • Ma, Yinghong;
    • Jiang, Baoping;
    • Ning, Ke;
    • Sun, Guangli;
    • Sun, Zhonghao;
    • Sun, Zhaocui;
    • Ma, Guoxu;
    • Tong, Xiaole;
    • Qin, Hailong;
    • Liu, Hong;
    • Xu, Xudong;
    • Yang, Meihua;
    • Wu, Haifeng;
    • Liu, Xin
    Publication type:
    Article
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    Design, Synthesis, Biological Evaluation and Molecular Modeling Studies of Novel Naphthoquinone‐Triazole Hybrids as Potential FGFR1 Tyrosine Kinase Inhibitors.

    Published in:
    Asian Journal of Organic Chemistry, 2025, v. 14, n. 5, p. 1, doi. 10.1002/ajoc.202400813
    By:
    • Leechaisit, Ronnakorn;
    • Mahalapbutr, Panupong;
    • Suriya, Utid;
    • Sukonthasakorn, Pattamaporn;
    • Prachayasittikul, Veda;
    • Mandi, Prasit;
    • Prachayasittikul, Supaluk;
    • Ruchirawat, Somsak;
    • Prachayasittikul, Virapong;
    • Pingaew, Ratchanok
    Publication type:
    Article
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