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11 ta ish

Ish: AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python Bindings

  1. Novel 2-benzoyl-3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazole: Synthesis, characterization and computational analysis

    К. Г. Авезов, Bako B. Umarov, Bakhtiyor Ganiev +4

    MaqolaSynthesis and Biological EvaluationJournal of Molecular Structure20255 iqtibos
    ABI

  2. Time-dependent interaction of benzohydrazide with trifluoroacetyl-2-furanoylmethane: Hydrazone versus pyrazoline formation

    Elizaveta V. Panova, М. А. Турсунов, Maftuna J. Ruzieva +2

    MaqolaSynthesis and Characterization of PyrrolesJournal of Molecular Structure20261 iqtibos
    ABI

  3. Synthesis and structural elucidation of a trifluoromethylated cyclopentene hydrazone: a combined X-ray and computational study

    Elizaveta V. Panova, Bakhtiyor Sh. Ganiev, Kuvondik G Avezov +3

    MaqolaPhosphorus compounds and reactionsNew Journal of Chemistry20261 iqtibos
    ABI

  4. Identification of the myxobacterial secondary metabolites Aurachin A and Soraphinol A as promising inhibitors of thymidylate kinase of the Monkeypox virus

    Yasir Ali, Azmat Ali Khan, Amer M. Alanazi +4

    MaqolaPoxvirus research and outbreaksMolecular Diversity20240 iqtibos
    ABI

  5. In Silico design and molecular dynamics analysis of imidazole derivatives as selective cyclooxygenase-2 inhibitors

    Mohamed J. Saadh, Hanan Hassan Ahmed, Radhwan Abdul Kareem +10

    MaqolaInflammatory mediators and NSAID effectsComputational Biology and Chemistry20250 iqtibos
    ABI

  6. Phytochemical compositions and cytotoxic activity of Conamomum vietnamense rhizome fractionated extract: in vitro and in silico screenings

    Tran Van Chen, Minh Kiep, Nguyen Bao Tran Pham +4

    MaqolaPiperaceae Chemical and Biological StudiesBotanical Sciences20250 iqtibos
    ABI

  7. rac-Diethyl-4-methyl-2-phenyl-6-(2-carbamothioylhydrazineylidene)cyclohex-4-en-1,3-dicarboxylate: Synthesis, characterization and computational studies

    Elizaveta V. Panova, Bakhtiyor Ganiev, N. G. Sevinchov +3

    MaqolaMetal complexes synthesis and propertiesJournal of Molecular Structure20250 iqtibos
    ABI

  8. Novel Covalent FAP-Targeted [ <sup>68</sup> Ga]Ga-DOTA-mFS-KERERG-FAP-2286 for Improved Pharmacokinetics and Enhanced Tumor Uptake

    Zhongcai Jin, Tongtong Wu, Shijie Tang +12

    MaqolaPeptidase Inhibition and AnalysisMolecular Pharmaceutics20260 iqtibos
    ABI

  9. Discovery of twelve undescribed diterpenoid alkaloids and identification of shawurensine A as a potent α7 nAChR antagonist

    Yuqin Yang, Nurfida Ablajan, Wenjuan Xue +7

    MaqolaPlant-based Medicinal ResearchPhytochemistry20260 iqtibos
    ABI

  10. A pyrazoline-thioamide hybrid: Synthesis, crystal structure, electronic landscape and in silico targeting of hemoglobin S

    Elizaveta V. Panova, Murod A. Tursunov, Shahnoza T. Otamurodova +1

    MaqolaMagnetism in coordination complexesJournal of Molecular Structure20260 iqtibos
    ABI

  11. Toxicological insights into formaldehyde-induced copd: a study on gene expression and molecular interactions

    Sana Waheed, Adnan Afzal, Saima Ejaz +9

    MaqolaIndoor Air Quality and Microbial ExposureCytotechnology20260 iqtibos
    ABI