Search Results - "QSAR"

2D/3D-QSAR Model Development Based on a Quinoline Pharmacophoric Core for the Inhibition of <i>Plasmodium falciparum</i>: An In Silico Approach with Experimental Validation by Marcos Lorca, Gisela C. Muscia, Susana Pérez-Benavente, José M. Bautista, Alison Acosta, Cesar González, Gianfranco Sabadini, Jaime Mella, Silvia E. Asís, Marco Mellado

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A novel non-linear approach for establishing a QSAR model of a class of 2-Phenyl-3-(pyridin-2-yl) thiazolidin-4-one derivatives by Leilei Wu, Yonglin Chen, Kangying Duan

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Antimicrobial evaluation and QSAR studies of 3,6-disubstituted-11H-benzo[5,6][1,4]thiazino[3,4-a]isoindol-11-ones by Satbir Mor, Suchita Sindhu, Mohini Khatri, Ravinder Punia, Hardeep Sandhu, Jayant Sindhu, Komal Jakhar

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The importance of good practices and false hits for QSAR-driven virtual screening real application: a SARS-CoV-2 main protease (Mpro) case study by Mateus Sá Magalhães Serafim, Mateus Sá Magalhães Serafim, Simone Queiroz Pantaleão, Elany Barbosa da Silva, James H. McKerrow, Anthony J. O'Donoghue, Bruno Eduardo Fernandes Mota, Kathia Maria Honorio, Kathia Maria Honorio, Vinícius Gonçalves Maltarollo

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Multipotent cholinesterase/monoamine oxidase inhibitors for the treatment of Alzheimer&rsquo;s disease: design, synthesis, biochemical evaluation, ADMET, molecular modeling, and QSAR analysis of novel donepezil-pyridyl hybrids by Bautista-Aguilera OM, Esteban G, Chioua M, Nikolic K, Agbaba D, Moraleda I, Iriepa I, Soriano E, Samadi A, Unzeta M, Marco-Contelles J

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QSAR, pharmacophore modeling and molecular docking studies to identify structural alerts for some nitrogen heterocycles as dual inhibitor of telomerase reverse transcriptase and human telomeric G-quadruplex DNA by R. D. Jawarkar, R. L. Bakal, P. N. Khatale, Israa Lewaa, Chetan M. Jain, Jagdish V. Manwar, Minal S. Jaiswal

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3D-QSAR studies on CCR2B receptor antagonists: Insight into the structural requirements of (R)-3-aminopyrrolidine series of molecules based on CoMFA/CoMSIA models by Swetha Gade, Shaik Mahmood

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Arylamines QSAR-Based Design and Molecular Dynamics of New Phenylthiophene and Benzimidazole Derivatives with Affinity for the C111, Y268, and H73 Sites of SARS-CoV-2 PLpro Enzyme by Gianfranco Sabadini, Marco Mellado, César Morales, Jaime Mella

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3D QSAR studies, pharmacophore modeling, and virtual screening of diarylpyrazole-benzenesulfonamide derivatives as a template to obtain new inhibitors, using human carbonic anhydrase II as a model protein by Yeganeh Entezari Heravi, Hassan Sereshti, Ali Akbar Saboury, Jahan Ghasemi, Marzieh Amirmostofian, Claudiu T. Supuran

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Chemoinformatics Approaches to Structure- and Ligand-Based Drug Design

Subjects: “…QSAR…”
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QSAR-analysis of 1-[2-(R-phenylimino)-4-methyl-3-(3-[morpholine-4-yl]propyl)-2,3-dihydro-1,3-thiazol-5-yl]ethane-1-one's derivatives as potential antioxidants by Іryna Drapak, Borys Zimenkovsky, Lina Perekhoda, Hanna Yeromina, Kateryna Lipakova, Inna Demchuk, Marina Rakhimova

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Water and Wastewater Treatment

Subjects: “…QSAR…”
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Biological Efficacy of Natural and Chemically Modified Products against Oral Inflammatory Lesions by Sakagami, Hiroshi

Subjects: “…QSAR analysis…”
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Echinoderms Metabolites: Structure, Functions and Biomedical Perspectives

Subjects: “…QSAR…”
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Frontiers in New Drug Discovery From Molecular Targets to Preclinical Trials

Subjects: “…QSAR…”
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In Silico Strategies for Prospective Drug Repositionings

Subjects: “…QSAR…”
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In Silico Strategies for Prospective Drug Repositionings

Subjects: “…QSAR…”
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Molecular Modeling in Drug Design by Wade, Rebecca

Subjects: “…quantitative structure-activity relationship (QSAR)…”
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From a Molecule to a Drug: Chemical Features Enhancing Pharmacological Potential

Subjects: “…QSAR…”
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Drug-Drug Interactions

Subjects: “…QSAR…”
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