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Structure-Based Drug Design / edited by Marcelo A. Marti, Adrian Gustavo Turjanski, Dario Fernández Do Porto.

Springer Nature - Springer Biomedical and Life Sciences eBooks 2024 English International Available online

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Format:
Book
Contributor:
Marti, Marcelo A., editor.
Turjanski, Adrian Gustavo, editor.
Do Porto, Dario Fernández, editor.
Series:
Computer-Aided Drug Discovery and Design, 2730-5465 ; 2
Language:
English
Subjects (All):
Medicine--Research.
Medicine.
Biology--Research.
Biology.
Pharmacology.
Drugs--Design.
Drugs.
Pharmaceutical chemistry.
Pharmacy.
Biomedical Research.
Structure-Based Drug Design.
Pharmaceutics.
Local Subjects:
Biomedical Research.
Pharmacology.
Structure-Based Drug Design.
Pharmaceutics.
Pharmacy.
Physical Description:
1 online resource (261 pages)
Edition:
1st ed. 2024.
Place of Publication:
Cham : Springer International Publishing : Imprint: Springer, 2024.
Summary:
This volume focuses on target-oriented approximations to drug discovery, including target selection, binding pocket detection, and current uses and variants of molecular dynamics and molecular docking. The primary audience is PhD and graduates working in the field of molecular biology, structural biology, pharmaceutical sciences.
Contents:
Prioritizing Drug Targets in Pathogenic Bacteria by Harnessing Structural Biology, Metabolic Analysis, and Omics Data Integration
Regulatory small RNAs as antimicrobial drug targets
Riboswitches as antimicrobial targets
Pre-selection of compounds for lead identification in virtual screening campaigns
Docking and Bias Docking
Molecular Dynamics and its Significance in Drug Discovery
Deep Learning Strategies for Enhanced Molecular Docking and Virtual Screening
Integrating computational approaches from non-synonymous sequence variations to molecular structure for drug repositioning targeting the SARS-CoV-2 Spike protein.
Notes:
Includes bibliographical references and index.
ISBN:
3-031-69162-8

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