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Protein–Ligand Interactions: Target Identification and Drug Discovery

Protein–Ligand Interactions: Target Identification and Drug Discovery

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Bioactive compounds and drugs are designed and screened on the basis of specific molecular targets as well as via the identification of active ingredients from traditional medicine or by serendipitous discovery. The development of novel therapeutic strategies not only requires a deep knowledge of the molecular processes and the cellular pathways involved in each pathological condition and disease, but also the specific protein targets and the effects of drug binding on protein conformation and activity. Understanding of how drugs can modify and modulate specific cellular pathways and functions will be helpful during the process of drug development and clinical trials.

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Keywords

  • ACE
  • acetylcholinesterase
  • amyloid beta aggregation
  • brassicasterol
  • Cancer
  • Cell Death
  • cell viability
  • Chemistry
  • CoCl2
  • Drug development
  • Drug Discovery
  • endocrine disruptor compound
  • fatty acid conjugation
  • FcRn-mediated recycling
  • Fluorescence spectroscopy
  • GADD45β
  • heat shock protein 70
  • HSP70
  • HSV
  • HSV-1 DNA polymerase
  • HSV-1 TK
  • human CDK2
  • human umbilical artery
  • kinase regulation
  • lipid signalling
  • lipid-protein interaction
  • lung cancer cell line
  • Mathematics & science
  • membrane
  • mitochondrial membrane potential
  • MKK7
  • molecular biophysics
  • molecular docking
  • molecular docking simulation
  • Molecular Dynamics
  • multi-target drug
  • multiple myeloma
  • Mycobacterium tuberculosis
  • NCI60 COMPARE analysis
  • Neuroprotection
  • PGRMC1
  • phosphatidylinositols
  • phytosterols
  • piperine
  • protein-ligand interaction
  • reactive oxygen species (ROS)
  • Reference, information & interdisciplinary subjects
  • Research & information: general
  • serum albumin
  • serum half-life extension
  • sigma ligands
  • sigma receptors
  • SIGMAR1
  • small-molecule derivatives of salicylanilide
  • STD-NMR
  • structure–activity relationship
  • Target identification
  • thyroid diseases
  • TMEM97
  • translocator protein (TSPO)
  • UDP-galactopyranose mutase
  • vascular homeostasis

Links

DOI: 10.3390/books978-3-0365-1051-4

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