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Computational Drug Discovery Methods

Работ: 186

  1. Design, synthesis, in vitro evaluation of a new pyrrolo[1,2‐<i>a</i>]thiazolo[5,4‐<i>d</i>]pyrimidinone derivatives as cholinesterase inhibitors against Alzheimer's disease

    Yan Zeng, Lifei Nie, Liu Liu +6

    СтатьяCholinesterase and Neurodegenerative DiseasesJournal of Heterocyclic Chemistry2022Цитирований: 17
    ABI

  2. Synthesis of the Three Mixed-ligand Metal Complexes and One Organic Salt of 3,5-Dinitrobenzoic Acid for Biopharmaceutical Optimization Through Monoethanolamine: Structures and DFT Studies of Complexes

    Avazbek B. Ibragimov, Jamshid Ashurov, Aziz B. Ibragimov +1

    СтатьяNonlinear Optical Materials ResearchJournal of Chemical Crystallography2020Цитирований: 13
    ABI

  3. Peptide design of a competitive inhibitor for HMG‐CoA reductase based on statin structure

    Valeriy V. Pak, Sung Hee Kim, Minseon Koo +3

    СтатьяComputational Drug Discovery MethodsBiopolymers2006Цитирований: 10
    ABI

  4. Modeling an active conformation for linear peptides and design of a competitive inhibitor for HMG‐CoA reductase

    Valeriy V. Pak, Minseon Koo, Min Jung Kim +3

    СтатьяRNA and protein synthesis mechanismsJournal of Molecular Recognition2008Цитирований: 8
    ABI

  5. Recognized sequence and conformation in design of linear peptides as a competitive inhibitor for HMG‐CoA reductase

    Valeriy V. Pak, Minseon Koo, L. M. Yun +1

    СтатьяComputational Drug Discovery MethodsJournal of Molecular Recognition2007Цитирований: 8
    ABI

  6. Synthesis, bioinformatics and biological evaluation of novel pyridine based on 8-hydroxyquinoline derivatives as antibacterial agents: DFT, molecular docking and ADME/T studies

    Mohamed Rbaa, Asmaa Oubihi, Halima Hajji +7

    СтатьяSynthesis and biological activityJournal of Molecular Structure2021Цитирований: 7
    ABI

  7. Aconitum and Delphinium alkaloids of curare-like activity. QSAR analysis and molecular docking of alkaloids into AChBP

    Malakhat A. Turabekova, Bakhtiyor Rasulev, F. N. Dzhakhangirov +2

    СтатьяPlant-based Medicinal ResearchEuropean Journal of Medicinal Chemistry2010Цитирований: 7
    ABI

  8. QSPR Modeling of Lipid-Water Partition Coefficient by Optimization of Correlation Weights of Local Graph Invariants

    Andrey A. Toropov, Kunal Roy

    СтатьяComputational Drug Discovery MethodsJournal of Chemical Information and Computer Sciences2003Цитирований: 7
    ABI

  9. Aconitum and Delphinium alkaloids

    Malakhat A. Turabekova, Bakhtiyor Rasulev, F. N. Dzhakhangirov +1

    СтатьяPlant-based Medicinal ResearchEnvironmental Toxicology and Pharmacology2007Цитирований: 7
    ABI

  10. The features of Auger destruction in quasi-one-dimensional objects of inorganic and organic nature

    Б. Л. Оксенгендлер, А Х Аширметов, N. N. Turaeva +4

    СтатьяComputational Drug Discovery MethodsNuclear Instruments and Methods in Physics Research Section B Beam Interactions with Materials and Atoms2021Цитирований: 7
    ABI

  11. Binding effect and design of a competitive inhibitory peptide for HMG-CoA reductase through modeling of an active peptide backbone

    Valeriy V. Pak, Minseon Koo, Min Jung Kim +2

    СтатьяComputational Drug Discovery MethodsBioorganic & Medicinal Chemistry2007Цитирований: 6
    ABI

  12. QSAR Analysis of the Structure—Toxicity Relationship of Aconitum and Delphinium Diterpene Alkaloids

    Malakhat A. Turabekova, Bakhtiyor Rasulev

    СтатьяComputational Drug Discovery MethodsChemistry of Natural Compounds2005Цитирований: 6
    ABI

  13. Peptide fragmentation as an approach in modeling of an active peptide and designing a competitive inhibitory peptide for HMG-CoA reductase

    Valeriy V. Pak, Minseon Koo, Dae Young Kwon +2

    СтатьяComputational Drug Discovery MethodsBioorganic & Medicinal Chemistry2010Цитирований: 5
    ABI

  14. Aconitum and Delphinium sp. alkaloids as antagonist modulators of voltage-gated Na+ channels

    Malakhat A. Turabekova, Bakhtiyor Rasulev, Mikhail G. Levkovich +2

    СтатьяPlant-based Medicinal ResearchComputational Biology and Chemistry2007Цитирований: 5
    ABI

  15. Interaction of α-synuclein with Rhus typhina tannin – Implication for Parkinson’s disease

    Szymon Sękowski, Максим Йонов, Nodira Abdulladjanova +5

    СтатьяPhytochemicals and Antioxidant ActivitiesColloids and Surfaces B Biointerfaces2017Цитирований: 5
    ABI

  16. Design of a highly potent inhibitory peptide acting as a competitive inhibitor of HMG-CoA reductase

    Valeriy V. Pak, Minseon Koo, Dae Young Kwon +1

    СтатьяComputational Drug Discovery MethodsAmino Acids2012Цитирований: 4
    ABI

  17. Design of Tripeptides as a Competitive Inhibitor for HMG-CoA Reductase

    Valeriy V. Pak, Dae Yong Kwon, Olim K. Khojimatov +2

    СтатьяComputational Drug Discovery MethodsInternational Journal of Peptide Research and Therapeutics2021Цитирований: 4
    ABI

  18. QSPR Modeling of Stability Constants of Coordination Compounds by Optimization of Correlation Weights of Local Graph Invariants

    Alla P. Toropova, Andrey A. Toropov, M. M. Ishankhodzhaeva +1

    СтатьяComputational Drug Discovery MethodsRussian Journal of Inorganic Chemistry2000Цитирований: 4
    ABI

  19. 3D weighting of molecular descriptors for QSPR/QSAR by the method of ideal symmetry (MIS). 1. Application to boiling points of alkanes

    Andrey A. Toropov, Alla P. Toropova, Т. Т. Исмаилов +1

    СтатьяComputational Drug Discovery MethodsJournal of Molecular Structure THEOCHEM1998Цитирований: 4
    ABI

  20. Simplified molecular input line entry system (SMILES) as an alternative for constructing quantitative structure-property relationships (QSPR)

    Andrey A. Toropov, Alla P. Toropova, Dilya V. Mukhamedzhanova +1

    СтатьяComputational Drug Discovery MethodsINDIAN JOURNAL OF CHEMISTRY- SECTION A2005Цитирований: 3
    ABI

  21. SMILES in QSPR/QSAR Modeling: Results and Perspectives

    Andrey A. Toropov, Emilio Benfenati

    СтатьяComputational Drug Discovery MethodsCurrent Drug Discovery Technologies2007Цитирований: 3
    ABI

  22. Prediction of the Q-e parameters from structures of transfer chain agents

    Alla P. Toropova, Andrey A. Toropov, В. О. Кудышкин +1

    СтатьяComputational Drug Discovery MethodsJournal of Polymer Research2015Цитирований: 3
    ABI

  23. Design of competitive inhibitory peptides for HMG-CoA reductase and modeling structural preference for short linear peptides

    Valeriy V. Pak, Olim K. Khojimatov, Aleksandr V. Pak +1

    СтатьяComputational Drug Discovery MethodsJournal of Molecular Structure2022Цитирований: 3
    ABI

  24. A Quantitative Structure‐Activity Relationship (QSAR) Study of the Antioxidant Activity of Flavonoids

    Bakhtiyor Rasulev, Н. Д. Абдуллаев, В. Н. Сыров +1

    СтатьяFree Radicals and AntioxidantsQSAR & Combinatorial Science2005Цитирований: 2
    ABI

  25. Structural features of N-acylcytisines

    N. P. Abdullaev, U.S. Makhmudov, Б. Ташходжаев +3

    СтатьяSynthesis and biological activityChemistry of Natural Compounds2009Цитирований: 2
    ABI