From a Molecule to a Drug: Chemical Features Enhancing Pharmacological Potential

• Other Authors: Ribaudo, Giovanni (Editor), Orian, Laura (Editor)
• Format: Electronic Book Chapter
• Language: English
• Published: Basel MDPI - Multidisciplinary Digital Publishing Institute 2022
• Subjects: Medicine; Pharmacology; SARS-CoV-2; benzoic acid derivatives; gallic acid; molecular docking; reactivity parameters; selenoxide elimination; one-pot; imine-enamine; reaction mechanism; DFT calculations; selenium; anti-inflammatory drugs; QSAR; pain management; cyclooxygenase; multitarget drug; cannabinoid; neuropathic pain; clopidogrel; NMR study; oxone; peroxymonosulfate; sodium halide; thienopyridine; drug discovery; precision medicine; pharmacodynamics; pharmacokinetics; coronavirus SARS-CoV-2; COVID-19; 3-chymotrypsin-like protease; pyrimidonic pharmaceuticals; molecular dynamics simulations; binding free energy; β-carrageenan; antioxidant activity; Box-Behken; extraction; Eucheuma gelatinae; physic-chemistry; rheology; quercetin; quercetin 3-O-glucuronide; cisplatin; nephrotoxicity; cytoprotection; lithium therapy; neurocytology; toxicology; neuroprotection; chemoinformatics; big data; methadone hydrochloride; pharmaceutical solutions; drug compounding; high performance liquid chromatography; stability study; microbiology; fucoidan; alginate; L-selectin; E-selectin; MCP-1; ICAM-1; THP-1 macrophage; monocyte migration; protein binding; breast milk; M/P ratio; statistical modeling; molecular descriptors; chromatographic descriptors; affinity chromatography; anti-ACE; anti-DPP-IV; gastrointestinal digestion; in silico; molecular dynamics; paramyosin; seafood; target fishing; n/a
• Online Access: DOAB: download the publication; DOAB: description of the publication

This book collects contributions published in the Special Issue "From a Molecule to a Drug: Chemical Features Enhancing Pharmacological Potential" and dealing with successful stories of drug improvement or design using classic protocols, quantum mechanical mechanistic investigation, or hyb...