QSAR of 1,4-benzoxazin-3-one antimicrobials and their drug design perspectives
نویسندگان
چکیده
منابع مشابه
4D-QSAR: perspectives in drug design.
Drug design is a process driven by innovation and technological breakthroughs involving a combination of advanced experimental and computational methods. A broad variety of medicinal chemistry approaches can be used for the identification of hits, generation of leads, as well as to accelerate the optimization of leads into drug candidates. The quantitative structure-activity relationship (QSAR)...
متن کامل7-Chloro-4-phenethyl-2H-1,4-benzoxazin-3(4H)-one
In the crystal structure of title compound, C(16)H(14)ClNO(2), the dihedral angle between the aromatic rings is 4.2 (2)°.
متن کامل6-Chloro-2H-1,4-benzoxazin-3(4H)-one
In the title compound, C(8)H(6)ClNO(2), the conformation of the six-membered heterocyclic ring is close to screw boat and the mol-ecules are linked via inter-molecular N-H⋯O hydrogen bonds along the b axis.
متن کامل8-Chloro-4-cyclohexyl-2H-1,4-benzoxazin-3(4H)-one
In the crystal structure of title compound, C(14)H(16)ClNO(2), the cyclo-hexyl ring is in a chair conformation. The molecules are connected into centrosymmetric dimers via weak C-H⋯O hydrogen bonds.
متن کاملQSAR and 3D-QSAR in Drug Design Anti-Tubercular Drug Discovery Studies
The relationships between lipophilicity and unspecific biological properties, such as narcotic, fungicidal, bactericidal, hemolytic and toxiccity properties have been known ever since the turn of the century. Research publications of Free Wilson method [1] and that of Hansch analysis [2] during 1964 served as the milestones in development of quantitative structure-activity relationships (QSAR)....
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ژورنال
عنوان ژورنال: Bioorganic & Medicinal Chemistry
سال: 2018
ISSN: 0968-0896
DOI: 10.1016/j.bmc.2018.11.016