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22 ta ish

Ish: SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules

  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. Exploring essential oil-based bio-composites: molecular docking and in vitro analysis for oral bacterial biofilm inhibition

    Niamat Ullah, Syed Zia Ul Hasnain, Rabia Baloch +8

    MaqolaMedicinal Plants and NeuroprotectionFrontiers in Chemistry20243 iqtibos
    ABI

  3. Relationship between structural properties and biological activity of (-)-menthol and some menthyl esters

    Dilshod Mansurov, Alisher Khaitbaev, Khamid Kh Khaitbaev +2

    MaqolaAnalytical Chemistry and ChromatographyComputational Biology and Chemistry20252 iqtibos
    ABI

  4. Design and Synthesis of Cryptostyline I Derivatives: Cytotoxic Activity and Molecular Docking Insights

    Sherzod Zhurakulov, Nilufar Z. Mamadalieva, Валентина И. Виноградова +6

    MaqolaSynthesis and bioactivity of alkaloidsChemistrySelect20252 iqtibos
    ABI

  5. Prediction of COVID-19 manipulation by selective ACE inhibitory compounds of Potentilla reptant root: In silico study and ADMET profile

    Yuan Xu, Mahmood Al-Mualm, Ermias Mergia Terefe +12

    MaqolaComputational Drug Discovery MethodsArabian Journal of Chemistry20221 iqtibos
    ABI

  6. Identification and exploration of quinazoline-1,2,3-triazole inhibitors targeting EGFR in lung cancer

    Sunil Kumar, Sounok Sengupta, Iqra Ali +4

    MaqolaQuinazolinone synthesis and applicationsJournal of Biomolecular Structure and Dynamics20231 iqtibos
    ABI

  7. 3CLpro of SARS-CoV-2 as a new target for bufadienolides: in silico and in vitro study

    Muzaffar Kayumov, Jamoliddin Razzokov, Mukhriddin Makhkamov +10

    MaqolaDrug-Induced Hepatotoxicity and ProtectionJournal of Computer-Aided Molecular Design20251 iqtibos
    ABI

  8. 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

  9. 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

  10. Phytoconstituents and Medicinal Plants for Anticancer Drug Discovery: Computational Identification of Potent Inhibitors of PIM1 Kinase

    Farah Anjum, Taj Mohammad, Abdulraheem Ali Almalki +3

    MaqolaCancer Mechanisms and TherapyOMICS A Journal of Integrative Biology20210 iqtibos
    ABI

  11. Discovery of Natural Compounds as Potential Inhibitors of Human Carbonic Anhydrase II: An Integrated Virtual Screening, Docking, and Molecular Dynamics Simulation Study

    Farah Anjum, Fatima Adam Mohamed Ali, Taj Mohammad +4

    MaqolaEnzyme function and inhibitionOMICS A Journal of Integrative Biology20210 iqtibos
    ABI

  12. Stability Constant and Potentiometric Sensitivity of Heavy Metal–Organic Fluorescent Compound Complexes: QSPR Models for Prediction and Design of Novel Coumarin-like Ligands

    Phan Thi Diem-Tran, Tue-Tam Ho, Nguyen-Van Tuan +10

    MaqolaComputational Drug Discovery MethodsToxics20230 iqtibos
    ABI

  13. Identification of <scp>mitogen‐activated</scp> protein kinase 7 inhibitors from natural products: Combined virtual screening and dynamic simulation studies

    Bandar Alharbi, Lina I. Alnajjar, Hassan H. Alhassan +7

    MaqolaMelanoma and MAPK PathwaysJournal of Molecular Recognition20230 iqtibos
    ABI

  14. 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

  15. Discovery, lead identification and exploration of potential oxadiazole derivatives in targeting STAT3 as anti-cancer agents

    Vivek Panwar, Sounok Sengupta, Saroj Kumar +5

    MaqolaCytokine Signaling Pathways and InteractionsIn Silico Pharmacology20240 iqtibos
    ABI

  16. Bioactive plant waste components targeting oral bacterial pathogens as a promising strategy for biofilm eradication

    Saima Mashal, Aisha Siddiqua, Niamat Ullah +13

    MaqolaOral microbiology and periodontitis researchFrontiers in Chemistry20240 iqtibos
    ABI

  17. Antioxidant Potential of Rhodiola Heterodonta Extract: Activation of Nrf2 Pathway via Integrative in Vivo and in Silico Studies

    Izzatullo Abdullaev, Anvarbek Bogbekov, Azizbek Akbar ogli +6

    PreprintMedicinal Plants and Bioactive CompoundsSSRN Electronic Journal20240 iqtibos
    ABI

  18. Comprehensive analysis of magnesium nitrate–urea coordination compounds: synthesis, characterization, and applications

    Zulfiya Djumanazarova, Shakhnoza Kadirova, Nuritdin Kattayev +7

    MaqolaMetal-Organic Frameworks: Synthesis and ApplicationsJournal of the Iranian Chemical Society20250 iqtibos
    ABI

  19. The Identification of Gyrophoric Acid, a Phytochemical Derived from Lichen, as a Potent Inhibitor for Aggregation of Amyloid Beta Peptide: In Silico and Biochemical Evaluation

    Meixia Yang, Haitao Hu, Jin Gao +6

    MaqolaComputational Drug Discovery MethodsInternational Journal of Molecular Sciences20250 iqtibos
    ABI

  20. 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

  21. Carvacrol from Moringa oleifera as a potential antidiabetic agent using integrated in-silico approach inhibiting TCF7L2

    Amna Saleem, Nouman Ali, Adeeba Ali +2

    MaqolaMoringa oleifera research and applicationsScientific Reports20260 iqtibos
    ABI

  22. 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