Stereoselective Synthesis of Novel Chiral Open-Chain D-Ribose and D-Glucose- Derived Nitrones through 1,3-Dipolar Cycloaddition of Maleimide and Maleic Acid and Investigation of Their Antimicrobial Activity Via Molecular Docking and ADMET Studies

Design and synthesis of novel enantiopure Bis(5-Isoxazolidine) derivatives: insights into their antioxidant and antimicrobial potential via in silico drug-likeness, pharmacokinetic, medicinal chemistry properties, and molecular docking studies

“…The synthesized isoxazolidines' Physicochemical Properties were studied, such as: (1) Molecular weight 150 g/mol< MW > 500 g/mol; (2) Hydrogen Bond Acceptors < 10; (3) 0 < number of rotatable bonds < 9; (4) Hydrogen Bond Donors <5; (5) INSATU: 0.25 < fraction of Csp3 < 1; (6) the polarity: 20 Å 2 < topological surface area (TPSA) < 160 Å 2 . The pharmacokinetics and drug-likeness properties of the synthesized drugs, such as blood-brain barrier permeation (BBB), human gastrointestinal absorption (GI), skin permeability parameter, plasma P-glycoprotein protein binding (P-gp), and interaction of the synthesized compounds with five important enzymes of the human cytochromes(P450) CYP1A2, CYP2D6, CYP2C19, CYP3A4, and CYP2C9 (the enzymes responsible for 90% of drug metabolism) [ 21 ] as well as interfering with the metabolism of a variety of endogenous substances. the drug-likeness features and medicinal chemistry are presented in Table 3 for all derivatives.…”

Uracil: A Pharmacophore with Diverse Biological Potential

“…[2,3] Several N-heterocyclic substances, which are abundant in nature and have physiological and pharmacological characteristics, are the building blocks of numerous physiologically significant molecules, including vitamins, nucleic acids, medicines, antibiotics, dyes and agrochemicals. [4][5][6][7][8][9][10] Heterocyclic compounds containing nitrogen atoms like pyrimidines, quinolines, indoles, pyrroles and pyrrolidines have become more significant in an array of study fields, including organic synthesis and medicine. [11][12][13] Uracil is a typical and naturally happening pyrimidine and one of the four nucleobases in the nucleic acid of ribonucleic acid (RNA).…”

“…Nitrogen‐based heterocyclic compounds are prominent and distinctive class among the applied disciplines of organic chemistry [2,3] . Several N‐heterocyclic substances, which are abundant in nature and have physiological and pharmacological characteristics, are the building blocks of numerous physiologically significant molecules, including vitamins, nucleic acids, medicines, antibiotics, dyes and agrochemicals [4–10] . Heterocyclic compounds containing nitrogen atoms like pyrimidines, quinolines, indoles, pyrroles and pyrrolidines have become more significant in an array of study fields, including organic synthesis and medicine [11–13] …”