Computational Drug Discovery Methods

Работ: 186

1. Structure-Hepatoprotective Activity Relationship Study of Iridoids

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

   СтатьяPhytochemistry and Biological ActivitiesInternational Journal of Quantitative Structure-Property Relationships2020Цитирований: 2

   ABIABI:AkademIndex/openalex/2020.article.000882

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

   СтатьяComputational Drug Discovery MethodsTrends in Sciences2025Цитирований: 2

   ABIABI:AkademIndex/openalex/2025.article.001660

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

   Ivan Raška, Andrey A. Toropov

   СтатьяComputational Drug Discovery MethodsEuropean Journal of Medicinal Chemistry2006Цитирований: 2

   ABIABI:AkademIndex/openalex/2026.other.347936

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

   Malakhat A. Turabekova, Bakhtiyor Rasulev

   СтатьяPlant-based Medicinal ResearchMolecules2004Цитирований: 2

   ABIABI:AkademIndex/openalex/2026.other.351262

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

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

   СтатьяComputational Drug Discovery MethodsUniversity of Zagreb University Computing Centre (SRCE)2005Цитирований: 2

   ABIABI:AkademIndex/openalex/2026.other.355741

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

   СтатьяComputational Drug Discovery MethodsChemical Physics Letters2004Цитирований: 2

   ABIABI:AkademIndex/openalex/2026.other.362653

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

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

   СтатьяComputational Drug Discovery MethodsJournal of Structural Chemistry2004Цитирований: 2

   ABIABI:AkademIndex/openalex/2026.other.365827

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

   СтатьяRNA and protein synthesis mechanismsInternational Journal of Peptide Research and Therapeutics2022Цитирований: 2

   ABIABI:AkademIndex/openalex/2026.other.407905

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

   Fatima Аdilova, Bakhtiyor Rasulev, Rifkat Davronov

   СтатьяComputational Drug Discovery Methods2019 International Conference on Information Science and Communications Technologies (ICISCT)2019Цитирований: 2

   ABIABI:AkademIndex/openalex/2026.other.450679

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

    СтатьяMolecular spectroscopy and chiralityBioorganic & Medicinal Chemistry2005Цитирований: 2

    ABIABI:AkademIndex/openalex/2026.other.488311

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

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

    СтатьяComputational Drug Discovery MethodsBioorganic & Medicinal Chemistry Letters2005Цитирований: 1

    ABIABI:AkademIndex/openalex/2005.article.000045

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

    СтатьяComputational Drug Discovery MethodsJournal of Molecular Modeling2005Цитирований: 1

    ABIABI:AkademIndex/openalex/2005.article.000068

13. Structure-toxicity relationships of nitroaromatic compounds

    Olexandr Isayev, Bakhtiyor Rasulev, Leonid Gorb +1

    СтатьяComputational Drug Discovery MethodsMolecular Diversity2006Цитирований: 1

    ABIABI:AkademIndex/openalex/2006.article.000017

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

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

    СтатьяComputational Drug Discovery MethodsEuropean Journal of Medicinal Chemistry2007Цитирований: 1

    ABIABI:AkademIndex/openalex/2007.article.000055

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

    СтатьяComputational Drug Discovery MethodsBioorganic & Medicinal Chemistry2008Цитирований: 1

    ABIABI:AkademIndex/openalex/2008.article.000042

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

    СтатьяComputational Drug Discovery MethodsJournal of Computational Chemistry2009Цитирований: 1

    ABIABI:AkademIndex/openalex/2009.article.000027

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

    СтатьяPlant-based Medicinal ResearchJournal of Environmental Science and Health Part C2014Цитирований: 1

    ABIABI:AkademIndex/openalex/2014.article.000072

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

    Обзорная статьяBiotechnology and Related FieldsJournal of Global Health2017Цитирований: 1

    ABIABI:AkademIndex/openalex/2017.review-article.000005

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

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

    СтатьяHistory and advancements in chemistryBulletin of National University of Uzbekistan Mathematics and Natural Sciences2019Цитирований: 1

    ABIABI:AkademIndex/openalex/2019.article.000912

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

    Rifkat Davronov, Fatima Аdilova

    СтатьяComputational Drug Discovery MethodsAIP conference proceedings2021Цитирований: 1

    ABIABI:AkademIndex/openalex/2021.article.000413

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

    СтатьяComputational Drug Discovery MethodsArabian Journal of Chemistry2022Цитирований: 1

    ABIABI:AkademIndex/openalex/2022.article.000118

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

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

    СтатьяComputational Drug Discovery MethodsStructural Chemistry2022Цитирований: 1

    ABIABI:AkademIndex/openalex/2022.article.000702

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

    СтатьяCholinesterase and Neurodegenerative DiseasesPhysical Biology2023Цитирований: 1

    ABIABI:AkademIndex/openalex/2023.article.000875

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

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

    СтатьяPlant biochemistry and biosynthesisJournal of Molecular Structure2023Цитирований: 1

    ABIABI:AkademIndex/openalex/2023.article.001469

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

    СтатьяComputational Drug Discovery MethodsNova Biotechnologica et Chimica2023Цитирований: 1

    ABIABI:AkademIndex/openalex/2023.article.003874