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Frontiers in Computational Chemistry
Frontiers in Computational Chemistry presents contemporary research on molecular modeling techniques used in drug discovery and the drug development process: computer aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecul...
| Clasificación: | Libro Electrónico |
|---|---|
| Autor principal: | |
| Otros Autores: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Singapore :
Bentham Science Publishers,
2020.
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| Colección: | Frontiers in Computational Chemistry Ser.
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| Temas: | |
| Acceso en línea: | Texto completo |
MARC
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| 020 | |a 9789811457791 | ||
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| 082 | 0 | 4 | |a 540 |2 23 |
| 049 | |a UAMI | ||
| 100 | 1 | |a Qasmi, Zaheer-Ul-Haq. | |
| 245 | 1 | 0 | |a Frontiers in Computational Chemistry |h [electronic resource]. |
| 260 | |a Singapore : |b Bentham Science Publishers, |c 2020. | ||
| 300 | |a 1 online resource (273 p.). | ||
| 490 | 1 | |a Frontiers in Computational Chemistry Ser. | |
| 500 | |a Description based upon print version of record. | ||
| 505 | 0 | |a Cover -- Title -- Copyright -- End User License Agreement -- Contents -- Preface -- List of Contributors -- Recent Advances and Role of Computational Chemistry in Drug Designing and Development on Viral Diseases -- Amit Lochab1, Rakhi Thareja2, Sangeeta D. Gadre3 and Reena Saxena1,* -- INTRODUCTION -- STRUCTURE-BASED COMPUTATIONAL METHODS IN DRUG DESIGNING -- Finding the Target Structure -- Pharmacophore Modeling -- Ligand Docking -- De Novo Design -- LIGAND BASED COMPUTATIONAL METHODS IN DRUG DESIGNING -- Quantitative Structure Activity Relationships (QSAR) -- Pharmacophore Modeling | |
| 505 | 8 | |a Virtual Screening -- Scaffold Hopping -- MULTI TARGET DRUG DESIGNING -- ROLE OF QUANTUM AND MOLECULAR MECHANICS IN DRUG DESIGNING -- Homology Modeling -- Molecular Dynamic Simulations -- Molecular Mechanics Force Fields (MM2, MM3 and MM4) -- Merck Molecular Force Field (MMFF) -- Universal Force Field (UFF) -- Chemistry at Harvard Molecular Mechanics (CHARMM) -- Assisted Model Building with Energy Refinement (AMBER) -- Quantum/Molecular Mechanics -- Fragment Molecular Orbital Method -- A BRIEF OVERVIEW OF THE ROLE OF CADD IN THE DEVELOPMENT OF DRUGS AGAINST VIRAL DISEASES -- Ebola Virus | |
| 505 | 8 | |a Zika Virus -- Hepatitis C Virus -- Coronavirus -- FUTURE PERSPECTIVE -- CONSENT FOR PUBLICATION -- CONFLICT OF INTEREST -- ACKNOWLEDGEMENTS -- REFERENCES -- Molecular Modeling Applied to Design of Cysteine Protease Inhibitors -- A Powerful Tool for the Identification of Hit Compounds Against Neglected Tropical Diseases -- Igor José dos Santos Nascimento1, Thiago Mendonça de Aquino1, Paulo Fernando da Silva Santos-Júnior1, João Xavier de Araújo-Júnior2 and Edeildo Ferreira da Silva-Júnior1,2,* -- INTRODUCTION -- VIRTUAL SCREENING IN DRUG DEVELOPMENT | |
| 505 | 8 | |a CYSTEINE PROTEASES AND THEIR CATALYTIC MECHANISM -- MOLECULAR MODELING APPLIED TO THE DESIGN OF CYSTEINE PROTEASE INHIBITORS -- Trypanosoma cruzi (Cruzain) -- Plasmodium falciparum (Falcipain) -- Chikungunya (nsP2) -- Schistosoma mansoni (SmHDAC8) -- Other Cysteine Proteases -- Cathepsin Family -- Enterovirus 71 (3Cpro) and Coronavirus (3CLpro) -- Caspase Family -- CRITICAL STEPS AND LIMITATIONS OF VIRTUAL SCREENING CAMPAIGNS -- CONCLUSION AND FUTURE OUTLOOK -- CONSENT FOR PUBLICATION -- CONFLICT OF INTEREST -- ACKNOWLEDGEMENTS -- REFERENCES | |
| 500 | |a Wnt Pathways and Other Diseases. | ||
| 520 | |a Frontiers in Computational Chemistry presents contemporary research on molecular modeling techniques used in drug discovery and the drug development process: computer aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecular graphics, and the development of new computational methods or efficient algorithms for the simulation of chemical phenomena including analyses of biological activity. The fifth volume of this series features these six chapters: - Recent Advances and Role of Computational Chemistry in Drug Designi. | ||
| 590 | |a ProQuest Ebook Central |b Ebook Central Academic Complete | ||
| 650 | 0 | |a Chemistry. | |
| 650 | 0 | |a Computational chemistry. | |
| 650 | 2 | |a Chemistry | |
| 650 | 6 | |a Chimie. | |
| 650 | 7 | |a chemistry. |2 aat | |
| 650 | 7 | |a Chemistry |2 fast | |
| 650 | 7 | |a Computational chemistry |2 fast | |
| 700 | 1 | |a Wilson, Angela K. | |
| 758 | |i has work: |a Frontiers in Computational Chemistry (Text) |1 https://id.oclc.org/worldcat/entity/E39PD34yRDQJP3r8JxqtTDmVj3 |4 https://id.oclc.org/worldcat/ontology/hasWork | ||
| 776 | 0 | 8 | |i Print version: |a Qasmi, Zaheer-Ul-Haq |t Frontiers in Computational Chemistry: Volume 5 |d Singapore : Bentham Science Publishers,c2020 |z 9789811457777 |
| 830 | 0 | |a Frontiers in Computational Chemistry Ser. | |
| 856 | 4 | 0 | |u https://ebookcentral.uam.elogim.com/lib/uam-ebooks/detail.action?docID=6371158 |z Texto completo |
| 880 | 8 | |6 505-00 |a Application of Systems Biology Methods in Understanding the Molecular Mechanism of Signalling Pathways in the Eukaryotic System -- Aditya Rao S.J.1 and M. Paramesha1,2,* -- INTRODUCTION -- Intercellular Signalling Pathways -- WHAT IS WNT-- Types of Wnt Signalling Pathway -- CANONICAL PATHWAY -- β-Catenin Dependent Canonical Pathway -- β-Catenin Independent Canonical Pathway -- NON-CANONICAL SIGNALLING PATHWAY -- Wnt/Planar Cell Polarity (PCP) Pathway -- The Wnt/Ca2+ Pathway -- SIGNIFICANCE OF THE WNT SIGNALLING PATHWAY -- IMPORTANCE OF WNT PATHWAYS IN DEFENCE -- Wnt Pathways and Cancers | |
| 938 | |a ProQuest Ebook Central |b EBLB |n EBL6371158 | ||
| 938 | |a YBP Library Services |b YANK |n 301540939 | ||
| 994 | |a 92 |b IZTAP | ||