Citations (23)
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P. Kumar, R. Singh, A. Kumar, A.P. Toropova, A.A. Toropov, M. Devi, S. Lal, J. Sindhu & D. Singh. (2022) Identifications of good and bad structural fragments of hydrazone/2,5-disubstituted-1,3,4-oxadiazole hybrids with correlation intensity index and consensus modelling using Monte Carlo based QSAR studies, their molecular docking and ADME analysis. SAR and QSAR in Environmental Research 33:9, pages 677-700.
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Andrey A. Toropov, Alla P. Toropova, Aleksandar M. Veselinović, Danuta Leszczynska & Jerzy Leszczynski. (2022) SARS-CoV Mpro inhibitory activity of aromatic disulfide compounds: QSAR model. Journal of Biomolecular Structure and Dynamics 40:2, pages 780-786.
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A.A. Toropov, A.P. Toropova & E. Benfenati. (2021) The QSAR-search of effective agents towards coronaviruses applying the Monte Carlo method. SAR and QSAR in Environmental Research 32:9, pages 689-698.
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Fisayo A. Olotu, Clement Agoni, Opeyemi Soremekun & Mahmoud E. S. Soliman. (2020) The recent application of 3D-QSAR and docking studies to novel HIV-protease inhibitor drug discovery. Expert Opinion on Drug Discovery 15:9, pages 1095-1109.
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Articles from other publishers (19)
Soumya Mitra, Subhadas Chatterjee, Shobhan Bose, Parthasarathi Panda, Souvik Basak, Nilanjan Ghosh, Subhash C. Mandal, Saroj Singhmura & Amit Kumar Halder. (2024) Finding structural requirements of structurally diverse α-glucosidase and α-amylase inhibitors through validated and predictive 2D-QSAR and 3D-QSAR analyses. Journal of Molecular Graphics and Modelling 126, pages 108640.
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Biljana Živadinović, Jelena Stamenović, Jelena Živadinović, Lazar Živadinović, Aleksandar Živadinović, Miloš Stojanović, Milan Lazarević, Dušan Sokolović & Aleksandar M. Veselinović. (2023) Monte Carlo optimization based QSAR modeling, molecular docking studies, and ADMET predictions of compounds with antiMES activity. Structural Chemistry 34:6, pages 2225-2235.
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Anish Gomatam, Afreen Khan, Kavita Raikuvar, Merwyn D’costa & Evans Coutinho. 2023. Current Trends in Computational Modeling for Drug Discovery. Current Trends in Computational Modeling for Drug Discovery
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Biljana Živadinović, Jelena Stamenović, Jelena Živadinović, Lazar Živadinović, Mihajlo Sokolović, Snežana S. Filipović, Dušan Sokolović & Aleksandar M. Veselinović. (2022) QSAR modelling, molecular docking studies and ADMET predictions of polysubstituted pyridinylimidazoles as dual inhibitors of JNK3 and p38α MAPK. Journal of Molecular Structure 1265, pages 133504.
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Abhishek Ghosh, Parthasarathi Panda, Amit Kumar Halder & Maria Natalia D. S. Cordeiro. (2022) In silico characterization of aryl benzoyl hydrazide derivatives as potential inhibitors of RdRp enzyme of H5N1 influenza virus. Frontiers in Pharmacology 13.
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Vanja P. Ničkčović, Gordana R. Nikolić, Biserka M. Nedeljković, Nebojša Mitić, Snežana Filipović Danić, Jadranka Mitić, Zoran Marčetić, Dušan Sokolović & Aleksandar M. Veselinović. (2022) In silico approach for the development of novel antiviral compounds based on SARS-COV-2 protease inhibition. Chemical Papers 76:7, pages 4393-4404.
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Vladimir Đorđević, Srđan Pešić, Jelena Živković, Goran M. Nikolić & Aleksandar M. Veselinović. (2022)
Development of novel antipsychotic agents by inhibiting dopamine transporter –
in silico
approach
. New Journal of Chemistry 46:6, pages 2687-2696.
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Amit Kumar Halder, António H.S. Delgado & M. Natália D.S. Cordeiro. (2022) First multi-target QSAR model for predicting the cytotoxicity of acrylic acid-based dental monomers. Dental Materials 38:2, pages 333-346.
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Alla P. Toropova & Andrey A. Toropov. (2021) Can the Monte Carlo method predict the toxicity of binary mixtures?. Environmental Science and Pollution Research 28:29, pages 39493-39500.
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Andrey A. Toropov, Alla P. Toropova, Marco Marzo, Edoardo Carnesecchi, Gianluca Selvestrel & Emilio Benfenati. (2020) Pesticides, cosmetics, drugs: identical and opposite influences of various molecular features as measures of endpoints similarity and dissimilarity. Molecular Diversity 25:2, pages 1137-1144.
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Ely Setiawan, Karna Wijaya & Mudasir Mudasir. Generic QSPR study for predicting critical micelle concentration of gemini cationic surfactants using the online chemical modeling environment (OCHEM). Generic QSPR study for predicting critical micelle concentration of gemini cationic surfactants using the online chemical modeling environment (OCHEM).
Shweta Sharma, K. Anita, Basheerulla Shaik & Vijay K. Agrawal. (2021) In silico modeling of some HEPT analogues as anti -HIV agents using QSAR and molecular docking studies. Materials Today: Proceedings 47, pages 1942-1951.
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Valeria V. Kleandrova & Alejandro Speck-Planche. (2020) The QSAR Paradigm in Fragment-Based Drug Discovery: From the Virtual Generation of Target Inhibitors to Multi-Scale Modeling. Mini-Reviews in Medicinal Chemistry 20:14, pages 1357-1374.
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Andrey A. Toropov, Alla P. Toropova, Edoardo Carnesecchi, Emilio Benfenati & Jean Lou Dorne. (2020) The index of ideality of correlation and the variety of molecular rings as a base to improve model of HIV-1 protease inhibitors activity. Structural Chemistry 31:4, pages 1441-1448.
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Jurica Novak, Maria A Grishina, Vladimir A Potemkin & Johann Gasteiger. (2020) Performance of radial distribution function-based descriptors in the chemoinformatic studies of HIV-1 protease. Future Medicinal Chemistry 12:4, pages 299-309.
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Leonid A. Stolbov, Dmitry S. Druzhilovskiy, Dmitry A. Filimonov, Marc C. Nicklaus & Vladimir V. Poroikov. (2019) (Q)SAR Models of HIV-1 Protein Inhibition by Drug-Like Compounds. Molecules 25:1, pages 87.
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Amit Kumar Halder, Amal Kanta Giri & Maria Natália Dias Soeiro Cordeiro. (2019) Multi-Target Chemometric Modelling, Fragment Analysis and Virtual Screening with ERK Inhibitors as Potential Anticancer Agents. Molecules 24:21, pages 3909.
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Andrey A. Toropov & Alla P. Toropova. (2019) QSAR as a random event: criteria of predictive potential for a chance model. Structural Chemistry 30:5, pages 1677-1683.
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Amit Kumar Halder & M. Natália Dias Soeiro Cordeiro. (2019) Development of Multi-Target Chemometric Models for the Inhibition of Class I PI3K Enzyme Isoforms: A Case Study Using QSAR-Co Tool. International Journal of Molecular Sciences 20:17, pages 4191.
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