Heterocyclic Compounds in Medicinal Chemistry
Although current medicinal chemistry landscapes seem to have changed thanks to the great advent of modern biological drugs, small molecules remain of crucial prominance in the identification of new drugs. Indeed, small molecules exert therapeutically favorable advantages, such as oral administration...
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| Formato: | Online |
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| Idioma: | inglês |
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MDPI - Multidisciplinary Digital Publishing Institute
2025
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| Acesso em linha: | ONIX_20250220_9783725822928_204 |
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| description | Although current medicinal chemistry landscapes seem to have changed thanks to the great advent of modern biological drugs, small molecules remain of crucial prominance in the identification of new drugs. Indeed, small molecules exert therapeutically favorable advantages, such as oral administration, tailored distribution, cell membrane crossing, accessible synthesis, and standardization. As a result, heterocycle-based small-molecule drugs represent the majority fraction of drugs currently marketed or in development. On the other side, the pharmacokinetic and pharmacodynamic properties, such as potency, selectivity, lipophilicity, polarity and water solubility can be modulated through the strategic inclusion of heterocycles in the molecule. Furthermore, heterocycles provide a fertile ground for the optimization of drug candidates due to their adaptable ability to hydrogen bond with target proteins, and the high prevalence of rings containing oxygen, sulfur, and nitrogen derives from their widespread presence in a wide range of natural products, whose structural motifs have always been emulated by the efforts of medicinal chemistry. Taking all these aspects into account, this Special Issue has collected new studies and new perspectives on the topic, further emphasizing the challenges that are still open and possible in the field of medicinal chemistry. |
| format | Online |
| id | doab-20.500.12854ir-152840 |
| institution | Directory of Open Access Books |
| language | eng |
| publishDate | 2025 |
| publishDateRange | 2025 |
| publishDateSort | 2025 |
| publisher | MDPI - Multidisciplinary Digital Publishing Institute |
| publisherStr | MDPI - Multidisciplinary Digital Publishing Institute |
| record_format | ojs |
| spelling | doab-20.500.12854ir-1528402025-02-20T13:09:26Z Heterocyclic Compounds in Medicinal Chemistry Madia, Valentina Noemi Ialongo, Davide cyclin-dependent kinase kinase inhibitor COVID-19 229E coronavirus pyrrole synthesis DFT antioxidant SH-SY5Y cellular toxicity cell protection benzo[b]furans benzofurans anticancer antibacterial antifungal medicinal chemistry drug discovery 4-aminocoumarin Schiff bases urease inhibition molecular docking antibacterial activity MD simulation indole hydrazone MCF7 apoptosis kinase inhibition pyrimidines building block antibiotic antiviral immunological treatment neurological disorders anti-inflammatory chronic pain diabetes mellitus benzofuran hybrid structure NSCLC EGFR Annona squamosa L. endophytic fungi MRSA ADME prediction public health molecular docking-coupled dynamics simulation lipophilicity diquinothiazines ADME chromatography phenothiazines anticancer agents 1H-benzo[d]imidazole tyrosine kinase inhibitor multiple kinase inhibitor cancer JBJ-125 deep learning pharmacophore virtual screening molecular dynamics ADMET 3,5-disubstituted hydantoins preparative HPLC separation NMR analysis absolute configuration CD/VCD antiproliferative activity in silico biological profiling thema EDItEUR::G Reference, Information and Interdisciplinary subjects::GP Research and information: general thema EDItEUR::P Mathematics and Science::PH Physics::PHH Thermodynamics and heat Although current medicinal chemistry landscapes seem to have changed thanks to the great advent of modern biological drugs, small molecules remain of crucial prominance in the identification of new drugs. Indeed, small molecules exert therapeutically favorable advantages, such as oral administration, tailored distribution, cell membrane crossing, accessible synthesis, and standardization. As a result, heterocycle-based small-molecule drugs represent the majority fraction of drugs currently marketed or in development. On the other side, the pharmacokinetic and pharmacodynamic properties, such as potency, selectivity, lipophilicity, polarity and water solubility can be modulated through the strategic inclusion of heterocycles in the molecule. Furthermore, heterocycles provide a fertile ground for the optimization of drug candidates due to their adaptable ability to hydrogen bond with target proteins, and the high prevalence of rings containing oxygen, sulfur, and nitrogen derives from their widespread presence in a wide range of natural products, whose structural motifs have always been emulated by the efforts of medicinal chemistry. Taking all these aspects into account, this Special Issue has collected new studies and new perspectives on the topic, further emphasizing the challenges that are still open and possible in the field of medicinal chemistry. 2025-02-20T13:09:24Z 2025-02-20T13:09:24Z 2024 book ONIX_20250220_9783725822928_204 9783725822928 9783725822911 https://directory.doabooks.org/handle/20.500.12854/152840 eng application/octet-stream Attribution 4.0 International https://mdpi.com/books/pdfview/book/10045 MDPI - Multidisciplinary Digital Publishing Institute 10.3390/books978-3-7258-2291-1 10.3390/books978-3-7258-2291-1 46cabcaa-dd94-4bfe-87b4-55023c1b36d0 9783725822928 9783725822911 384 Basel open access |
| spellingShingle | cyclin-dependent kinase kinase inhibitor COVID-19 229E coronavirus pyrrole synthesis DFT antioxidant SH-SY5Y cellular toxicity cell protection benzo[b]furans benzofurans anticancer antibacterial antifungal medicinal chemistry drug discovery 4-aminocoumarin Schiff bases urease inhibition molecular docking antibacterial activity MD simulation indole hydrazone MCF7 apoptosis kinase inhibition pyrimidines building block antibiotic antiviral immunological treatment neurological disorders anti-inflammatory chronic pain diabetes mellitus benzofuran hybrid structure NSCLC EGFR Annona squamosa L. endophytic fungi MRSA ADME prediction public health molecular docking-coupled dynamics simulation lipophilicity diquinothiazines ADME chromatography phenothiazines anticancer agents 1H-benzo[d]imidazole tyrosine kinase inhibitor multiple kinase inhibitor cancer JBJ-125 deep learning pharmacophore virtual screening molecular dynamics ADMET 3,5-disubstituted hydantoins preparative HPLC separation NMR analysis absolute configuration CD/VCD antiproliferative activity in silico biological profiling thema EDItEUR::G Reference, Information and Interdisciplinary subjects::GP Research and information: general thema EDItEUR::P Mathematics and Science::PH Physics::PHH Thermodynamics and heat Heterocyclic Compounds in Medicinal Chemistry |
| title | Heterocyclic Compounds in Medicinal Chemistry |
| title_full | Heterocyclic Compounds in Medicinal Chemistry |
| title_fullStr | Heterocyclic Compounds in Medicinal Chemistry |
| title_full_unstemmed | Heterocyclic Compounds in Medicinal Chemistry |
| title_short | Heterocyclic Compounds in Medicinal Chemistry |
| title_sort | heterocyclic compounds in medicinal chemistry |
| topic | cyclin-dependent kinase kinase inhibitor COVID-19 229E coronavirus pyrrole synthesis DFT antioxidant SH-SY5Y cellular toxicity cell protection benzo[b]furans benzofurans anticancer antibacterial antifungal medicinal chemistry drug discovery 4-aminocoumarin Schiff bases urease inhibition molecular docking antibacterial activity MD simulation indole hydrazone MCF7 apoptosis kinase inhibition pyrimidines building block antibiotic antiviral immunological treatment neurological disorders anti-inflammatory chronic pain diabetes mellitus benzofuran hybrid structure NSCLC EGFR Annona squamosa L. endophytic fungi MRSA ADME prediction public health molecular docking-coupled dynamics simulation lipophilicity diquinothiazines ADME chromatography phenothiazines anticancer agents 1H-benzo[d]imidazole tyrosine kinase inhibitor multiple kinase inhibitor cancer JBJ-125 deep learning pharmacophore virtual screening molecular dynamics ADMET 3,5-disubstituted hydantoins preparative HPLC separation NMR analysis absolute configuration CD/VCD antiproliferative activity in silico biological profiling thema EDItEUR::G Reference, Information and Interdisciplinary subjects::GP Research and information: general thema EDItEUR::P Mathematics and Science::PH Physics::PHH Thermodynamics and heat |
| topic_facet | cyclin-dependent kinase kinase inhibitor COVID-19 229E coronavirus pyrrole synthesis DFT antioxidant SH-SY5Y cellular toxicity cell protection benzo[b]furans benzofurans anticancer antibacterial antifungal medicinal chemistry drug discovery 4-aminocoumarin Schiff bases urease inhibition molecular docking antibacterial activity MD simulation indole hydrazone MCF7 apoptosis kinase inhibition pyrimidines building block antibiotic antiviral immunological treatment neurological disorders anti-inflammatory chronic pain diabetes mellitus benzofuran hybrid structure NSCLC EGFR Annona squamosa L. endophytic fungi MRSA ADME prediction public health molecular docking-coupled dynamics simulation lipophilicity diquinothiazines ADME chromatography phenothiazines anticancer agents 1H-benzo[d]imidazole tyrosine kinase inhibitor multiple kinase inhibitor cancer JBJ-125 deep learning pharmacophore virtual screening molecular dynamics ADMET 3,5-disubstituted hydantoins preparative HPLC separation NMR analysis absolute configuration CD/VCD antiproliferative activity in silico biological profiling thema EDItEUR::G Reference, Information and Interdisciplinary subjects::GP Research and information: general thema EDItEUR::P Mathematics and Science::PH Physics::PHH Thermodynamics and heat |
| url | ONIX_20250220_9783725822928_204 |