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Computational Drug Discovery Methods

186 ta ish

  1. Structure-Hepatoprotective Activity Relationship Study of Iridoids

    Durbek Usmanov, Bakhtiyor Rasulev, В. Н. Сыров +2

    MaqolaPhytochemistry and Biological ActivitiesInternational Journal of Quantitative Structure-Property Relationships20202 iqtibos
    ABI

  2. Channelopathy Activity Of A-41(Propyl Ester of Gallic Acid): Experimental and Computational Study of Antihypertensive Activity

    Shodiyakhon Sodiqova, Shokhida Kadirova, Anvar Zaynabiddinov +8

    MaqolaComputational Drug Discovery MethodsTrends in Sciences20252 iqtibos
    ABI

  3. Comparison of QSPR models of octanol/water partition coefficient for vitamins and non vitamins

    Ivan Raška, Andrey A. Toropov

    MaqolaComputational Drug Discovery MethodsEuropean Journal of Medicinal Chemistry20062 iqtibos
    ABI

  4. A QSAR Toxicity Study of a Series of Alkaloids with the Lycoctonine Skeleton

    Malakhat A. Turabekova, Bakhtiyor Rasulev

    MaqolaPlant-based Medicinal ResearchMolecules20042 iqtibos
    ABI

  5. Comparison of QSPR Models Based on Hydrogen-Filled Graphs and on Graphs of Atomic Orbitals

    Andrey A. Toropov, Alla P. Toropova, İvan Gutman

    MaqolaComputational Drug Discovery MethodsUniversity of Zagreb University Computing Centre (SRCE)20052 iqtibos
    ABI

  6. Prediction of alkane enthalpies by means of correlation weighting of Morgan extended connectivity in molecular graphs

    Andrey A. Toropov, Alla P. Toropova, A.I. Nesterova +1

    MaqolaComputational Drug Discovery MethodsChemical Physics Letters20042 iqtibos
    ABI

  7. QSPR Modeling of the Reactivity Parameters of Monomers in Radical Copolymerizations

    Andrey A. Toropov, В. О. Кудышкин, Н. Л. Воропаева +2

    MaqolaComputational Drug Discovery MethodsJournal of Structural Chemistry20042 iqtibos
    ABI

  8. Design of Tetrapeptides as a Competitive Inhibitor for HMG-CoA Reductase and Modeling Recognized Sequence as a β-Turn Structure

    Valeriy V. Pak, Olim K. Khojimatov, Aleksandr V. Pak +2

    MaqolaRNA and protein synthesis mechanismsInternational Journal of Peptide Research and Therapeutics20222 iqtibos
    ABI

  9. Comparison of the molecular descriptors efficiency in modeling the structure-activity relationship

    Fatima Аdilova, Bakhtiyor Rasulev, Rifkat Davronov

    MaqolaComputational Drug Discovery Methods2019 International Conference on Information Science and Communications Technologies (ICISCT)20192 iqtibos
    ABI

  10. QSAR of the testosterone binding globulin affinity by means of correlation weighting of local invariants of the graph of atomic orbitals

    Ivan Raška, Andrey A. Toropov

    MaqolaMolecular spectroscopy and chiralityBioorganic & Medicinal Chemistry20052 iqtibos
    ABI

  11. New tyrosinase inhibitors selected by atomic linear indices-based classification models

    Gerardo M. Casañola‐Martín, Mahmud Tareq Hassan Khan, Yovani Marrero‐Ponce +3

    MaqolaComputational Drug Discovery MethodsBioorganic & Medicinal Chemistry Letters20051 iqtibos
    ABI

  12. QSPR modeling of the water solubility of diverse functional aliphatic compounds by optimization of correlation weights of local graph invariants

    Kunal Roy, Andrey A. Toropov

    MaqolaComputational Drug Discovery MethodsJournal of Molecular Modeling20051 iqtibos
    ABI

  13. Structure-toxicity relationships of nitroaromatic compounds

    Olexandr Isayev, Bakhtiyor Rasulev, Leonid Gorb +1

    MaqolaComputational Drug Discovery MethodsMolecular Diversity20061 iqtibos
    ABI

  14. QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES

    Andrey A. Toropov, Alla P. Toropova, Ivan Raška

    MaqolaComputational Drug Discovery MethodsEuropean Journal of Medicinal Chemistry20071 iqtibos
    ABI

  15. Additive SMILES-based optimal descriptors in QSAR modelling bee toxicity: Using rare SMILES attributes to define the applicability domain

    Andrey A. Toropov, Emilio Benfenati

    MaqolaComputational Drug Discovery MethodsBioorganic & Medicinal Chemistry20081 iqtibos
    ABI

  16. SMILES‐based optimal descriptors: QSAR analysis of fullerene‐based HIV‐1 PR inhibitors by means of balance of correlations

    Andrey A. Toropov, Alla P. Toropova, Emilio Benfenati +2

    MaqolaComputational Drug Discovery MethodsJournal of Computational Chemistry20091 iqtibos
    ABI

  17. <i>Aconitum</i>and<i>Delphinium</i>Diterpenoid Alkaloids of Local Anesthetic Activity: Comparative QSAR Analysis Based on GA-MLRA/PLS and Optimal Descriptors Approach

    Malakhat A. Turabekova, Bakhtiyor Rasulev, F. N. Dzhakhangirov +3

    MaqolaPlant-based Medicinal ResearchJournal of Environmental Science and Health Part C20141 iqtibos
    ABI

  18. Biodiversity, drug discovery, and the future of global health: Introducing the biodiversity to biomedicine consortium, a call to action

    Vidushi S. Neergheen, Almas Taj Awan, Yusuf Baran +15

    Sharh maqolaBiotechnology and Related FieldsJournal of Global Health20171 iqtibos
    ABI

  19. Periodic table of elements, Mendeleev's periodic table: history, achievements and problems

    Б. Л. Оксенгендлер, Kamil Mukimov, Renat R. Letfullin +3

    MaqolaHistory and advancements in chemistryBulletin of National University of Uzbekistan Mathematics and Natural Sciences20191 iqtibos
    ABI

  20. A comparative analysis of the ensemble methods for drug design

    Rifkat Davronov, Fatima Аdilova

    MaqolaComputational Drug Discovery MethodsAIP conference proceedings20211 iqtibos
    ABI

  21. 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

  22. The system of self-consistent QSPR-models for refractive index of polymers

    Andrey A. Toropov, Alla P. Toropova, В. О. Кудышкин

    MaqolaComputational Drug Discovery MethodsStructural Chemistry20221 iqtibos
    ABI

  23. An exploration of the binding prediction of anatoxin-a and atropine to acetylcholinesterase enzyme using multi-level computer simulations

    Showkat Ahmad Mir, Jamoliddin Razzokov, V. Mukherjee +2

    MaqolaCholinesterase and Neurodegenerative DiseasesPhysical Biology20231 iqtibos
    ABI

  24. Modeling of hydrophobic tetrapeptides as a competitive inhibitor for HMG-CoA reductase

    Valeriy V. Pak, Ш. Ш. Сагдуллаев, Aleksandr V. Pak +1

    MaqolaPlant biochemistry and biosynthesisJournal of Molecular Structure20231 iqtibos
    ABI

  25. Effects of dihydroquercetin, 1-aryltetrahydroisoquinoline, and conjugate on the functional condition mitochondrial membrane of the rat liver

    Zafarjon Ernazarov, Mamurjon K. Pozilov, Muzaffar I. Asrarov +1

    MaqolaComputational Drug Discovery MethodsNova Biotechnologica et Chimica20231 iqtibos
    ABI