Results 241 to 250 of about 157,767 (395)

Is Mycobacterial InhA a Suitable Target for Rational Drug Design?

open access: yesChemMedChem, EarlyView.
InhA is the target of isoniazid, a first‐line antituberculosis drug. Isoniazid is, in fact, a prodrug that needs to be activated. Researchers are trying to develop direct inhibitors of InhA. This includes the resolution of crystallographic structures. The Protein Data Bank contains over a hundred InhA structures.
Julien Rizet   +7 more
wiley   +1 more source

Improved C5‐Amide Bioisosteres for Human Neuraminidase 1 Inhibitors Based on 2‐Deoxy‐2,3‐Didehydro‐N‐Acetyl Neuraminic Acid

open access: yesChemMedChem, EarlyView.
This article describes the development of improved NEU1 inhibitors based on the 2‐deoxy‐2,3‐didehydro‐N‐acetyl neuraminic acid scaffold. A series of candidate inhibitors are designed containing bioisosteres of the C5‐amide group and evaluated for activity against NEU1‐4 enzymes.
Mostafa Radwan   +2 more
wiley   +1 more source

Deferasirox Derivatives as Inhibitors of Kallikrein‐Related Peptidases Associated to Neurodegenerative Diseases

open access: yesChemMedChem, EarlyView.
Dysregulated proteolysis mediated by kallikrein‐related peptidases (KLKs) and iron overload are involved in the progression of neurodegenerative diseases. Deferasirox, an clinically‐approved iron chelator, and its newly synthesized derivatives have been identified as inhibitors of major central nervous system KLKs with low cytotoxicity and effective ...
Rilès Boumali   +11 more
wiley   +1 more source

35Cl NMR of Metal‐Organic Frameworks: What Can We Learn?

open access: yesChemistry–Methods, EarlyView.
35Cl solid‐state NMR of MOFs offers insights into bonding mode and character, hydrogen bonding, phase transitions, and reaction products, even near paramagnetic centers. 35Cl NMR parameters reflect Cl coordination and local geometry. DFT methods accurately predict 35Cl NMR parameters. This 35Cl NMR/DFT approach is applicable to other MOFs and materials.
Wanli Zhang   +3 more
wiley   +1 more source

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