Protein-Ligand Interactions: Target Identification and Drug Discovery

• Other Authors: Altieri, Fabio (Editor)
• Format: Electronic Book Chapter
• Language: English
• Published: Basel, Switzerland MDPI - Multidisciplinary Digital Publishing Institute 2021
• Subjects: Research & information: general; Chemistry; serum half-life extension; fatty acid conjugation; FcRn-mediated recycling; serum albumin; translocator protein (TSPO); CoCl2; mitochondrial membrane potential; reactive oxygen species (ROS); cell viability; cell death; lung cancer cell line; acetylcholinesterase; amyloid beta aggregation; neuroprotection; molecular docking; multi-target drug; structure-activity relationship; brassicasterol; phytosterols; HSV; Mycobacterium tuberculosis; HSV-1 DNA polymerase; HSV-1 TK; human CDK2; ACE; UDP-galactopyranose mutase; heat shock protein 70; Hsp70; piperine; fluorescence spectroscopy; molecular dynamics; molecular biophysics; GADD45β; MKK7; multiple myeloma; protein-ligand interaction; STD-NMR; sigma receptors; sigma ligands; cancer; SIGMAR1; PGRMC1; TMEM97; NCI60 COMPARE analysis; membrane; lipid-protein interaction; lipid signalling; kinase regulation; phosphatidylinositols; molecular docking simulation; target identification; small-molecule derivatives of salicylanilide; drug discovery; drug development; thyroid diseases; endocrine disruptor compound; human umbilical artery; vascular homeostasis
• Online Access: DOAB: download the publication; DOAB: description of the publication

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.