Designing Next-Generation Drug-Like Molecules for Medicinal Applications

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https://mdpi.com/books/pdfview/book/10429Contributor(s)
Khan, Imtiaz (editor)
Zaib, Sumera (editor)
Language
EnglishAbstract
The development of new drugs/drug candidates for medical treatment remains an exciting but challenging process as only a limited number of synthetic compounds fit well into the discovery and development process after multiple experimentation and screening efforts in search of their preclinical properties. Over the years, this continuous demand has been fueled by the use of organic/synthetic chemistry protocols that deliver new molecules or improve the existing toolbox diversifying libraries of pharmacophores of medicinal interest. The application of new methodologies particularly employing green and sustainable commercial feedstock chemicals for the discovery and development of biological therapeutics opens up new avenues of research. In parallel, the discovery and development of new organic molecules have always proved effective in designing drugs while overcoming critical challenges to the pharmaceutical industry and providing innovative solutions toward commercialized medicines. This reprint aims to provide a far-reaching overview of the most recent developments in synthetic methodologies as well as medicinal chemistry applications of small-molecule inhibitors.
Keywords
anthraquinones; antidiabetic; antimicrobial; Cassia obtusifolia L.; hepatoprotection; neuro protection; spirooxindole; azomethine ylides; [3+2] cycloaddition reaction; anti-cancer activity; amide; anti-inflammatory; COX-2; iNOS; NO; PGE2; pyrazole; quinoline; thiosemicarbazone; molecular design; hybridization; Alzheimer’s disease; neurodegeneration; drug therapy; cholinesterases; enzyme inhibition; molecular docking; diabetes; drug delivery; α-glucosidase; in vivo studies; α-mangostin; nanosponges; quasi-emulsion method; HER4; ErbB4; cancer; kinase inhibitors; structure-activity relationship; hesperetin derivatives; PTP1B; hesperetin 5-O-glucoside; baricitinib; bioavailability; encapsulation; hybrid nanoparticles; poly(d,l-lactide-coglycolide); stearin; anticancer; kinase inhibitor; neurodegenerative disorders; deep machine learning; generative modeling; kinase inhibitor design; Bruton’s tyrosine kinase; covalent inhibitors; 3-phenyl-β-alanine 1,3,4-oxadiazole hybrids; carbonic anhydrase-II; dental caries; biofilm; glucosyltransferases; virtual screening; antibiofilm; antimicrobial ADMET profiling; triterpenoic acid; ursolic acid; oleanolic acid; betulinic acid; rhodamine B; rhodamine 101; cytotoxicity; SARS-CoV-2 nsp16-nsp10 2′-o-methyltransferase; FDA approved drugs; molecular fingerprints; structural similarity; MD simulations; MMPBSA; immunomodulatory; apoptosis; in silico studies; nicotinamide; VEGFR-2; amino acyl coumarins; (pseudo)-dipeptidyl coumarins; carbonic anhydrases (CAs); monoamine oxidases (MAOs); iodinated histidines; membrane active peptides; anticryptococcal activity; iodopeptides; pore formation; cell lysis; antifungal agents; n/aISBN
9783725830084, 9783725830077Publisher website
www.mdpi.com/booksPublication date and place
Basel, 2025Classification
Research and information: general
Thermodynamics and heat

