Cell Reports Physical Science, 2021 Summary: Iron terminal imido species featuring electron-withdrawing N-substituents represent an important category of reactive metal-ligand-multiple-bond intermediates in iron-catalyzed reactions.
Qing Liu +7 more
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Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir
mBio, 2022 Lenacapavir (LEN) is a long-acting, highly potent HIV-1 capsid (CA) inhibitor. The evolution of viral variants under the genetic pressure of LEN identified Q67H, N74D, and Q67H/N74D CA substitutions as the main resistance associated mutations (RAMs ...
Stephanie M. Bester +8 more
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Quantum Nuclear Dynamics of Protons within Layered Hydroxides at High Pressure
Scientific Reports, 2017 Studies of the structure of hydroxides under pressure using neutron diffraction reveal that the high concentration of hydrogen is distributed in a disordered network.
Romain Dupuis +4 more
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Structures of Trypanosoma brucei methionyl-tRNA synthetase with urea-based inhibitors provide guidance for drug design against sleeping sickness. [PDF]
PLoS Neglected Tropical Diseases, 2014 Methionyl-tRNA synthetase of Trypanosoma brucei (TbMetRS) is an important target in the development of new antitrypanosomal drugs. The enzyme is essential, highly flexible and displaying a large degree of changes in protein domains and binding pockets in
Cho Yeow Koh +12 more
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Anti-malarial activity of a non-piperidine library of next-generation quinoline methanols
Malaria Journal, 2010 Background The clinical utility for mefloquine has been eroded due to its association with adverse neurological effects. Better-tolerated alternatives are required.
Melendez Victor +13 more
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H/D Isotope Effects in Hydrogen Bonded Systems
Molecules, 2013 An extremely strong H/D isotope effect observed in hydrogen bonded A-H…B systems is connected with a reach diversity of the potential shape for the proton/deuteron motion.
Aleksander Filarowski +2 more
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Very Strong Hydrogen Bond in Nitrophthalic Cocrystals
MoleculesThis work presents the studies of a very strong hydrogen bond (VSHB) in biologically active phthalic acids. Research on VSHB comes topical due to its participation in many biological processes.
Kinga Jóźwiak +5 more
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In silico approaches of gandarusa (Justicia gendarussa Burm. f.) potential for osteoporosis prevention via EGF pathway [PDF]
Journal of Pharmacy & Pharmacognosy ResearchContext: On a cellular level, osteoporosis is a metabolic bone disease caused by osteoclastic bone resorption that is not offset by osteoblastic bone synthesis. This increases the risk of fractures by making bones weak and brittle.
Sri Dinengsih +4 more
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Low Barrier Hydrogen Bonds: Getting Close, but Not Sharing...
ACS Central Science, 2015 Judith Klinman discusses the insights Oltrogge and Boxer provide regarding bond cleavage enzymes in their studies of pKa-modified GFPs.
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Energy considerations show that low-barrier hydrogen bonds do not offer a catalytic advantage over ordinary hydrogen bonds [PDF]
Proceedings of the National Academy of Sciences, 1996 Low-barrier hydrogen bonds have recently been proposed as a major factor in enzyme catalysis. Here we evaluate the feasibility of transition state (TS) stabilization by low-barrier hydrogen bonds in enzymes. Our analysis focuses on the facts that ( i ) a low-barrier hydrogen bond is less stable than a regular ...
Arieh Warshel, Arno Papazyan
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