Intramolecular Hydrogen Bond Expectations in Medicinal Chemistry
نویسندگان
چکیده
منابع مشابه
Intramolecular Charge-Assisted Hydrogen Bond Strength in Pseudochair Carboxyphosphate
Carboxyphosphate, a suspected intermediate in ATP-dependent carboxylases, has not been isolated nor observed directly by experiment. Consequently, little is known concerning its structure, stability, and ionization state. Recently, carboxyphosphate as either a monoanion or dianion has been shown computationally to adopt a novel pseudochair conformation featuring an intramolecular charge-assiste...
متن کاملCommunication: Frequency shifts of an intramolecular hydrogen bond as a measure of intermolecular hydrogen bond strengths.
Infrared-ultraviolet double resonance spectroscopy has been applied to study the infrared spectra of the supersonically cooled gas phase complexes of formic acid, acetic acid, propionic acid, formamide, and water with 9-hydroxy-9-fluorenecarboxylic acid (9HFCA), an analog of glycolic acid. In these complexes each binding partner to 9HFCA can function as both proton donor and acceptor. Relative ...
متن کاملIntramolecular hydrogen bond in biologically active o-carbonyl hydroquinones.
Intramolecular hydrogen bonds (IHBs) play a central role in the molecular structure, chemical reactivity and interactions of biologically active molecules. Here, we study the IHBs of seven related o-carbonyl hydroquinones and one structurally-related aromatic lactone, some of which have shown anticancer and antioxidant activity. Experimental NMR data were correlated with theoretical calculation...
متن کاملUnderstanding the Hydrogen Bond Using Quantum Chemistry
Understanding the origins and the fundamental nature of the chemical bond has been a central focus of chemists for decades. A chemical bond that has received considerable attention due to its importance in biological phenomena and in the relations between gas and condensed phases is the hydrogen bond, typically a relatively weak interaction involving an electronegative donor X, a hydrogen, and ...
متن کاملConventional and Unconventional Intramolecular Hydrogen Bonding in some Beta-diketones
This study presents our view of unconventional and conventional intramolecular hydrogen bonds (HBs) for some beta-diketones theoretically and experimentally. According to our results, the groups such as Phenyl and t-But in beta positions increase and CF3 group decrease IHB strength, respectively. For better understanding of the substitution effects, the compounds with similar and different subs...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: ACS Medicinal Chemistry Letters
سال: 2017
ISSN: 1948-5875,1948-5875
DOI: 10.1021/acsmedchemlett.7b00002