Introduction: Molecular dynamics (MD) simulations can provide not only plentiful dynamical
structural information on biomacromolecules but also a wealth of energetic information …

Toll-like receptors (TLRs) serve as the body's first line of defense, recognizing both
pathogen-expressed molecules and host-derived molecules released from damaged or …

Diaryl ether (DE) is a functional scaffold existing widely both in natural products (NPs) and
synthetic organic compounds. Statistically, DE is the second most popular and enduring …

Infective diseases have become health threat of a global proportion due to appearance and
spread of microorganisms resistant to majority of therapeutics currently used for their …

The benzoxazole heterocycle is often found in ligands targeting a plethora of receptors and
enzymes. By analysis of published X-ray structures, this review aims at highlighting key …

The direct-acting antivirals (DAAs) currently in development for treatment of hepatitis C fall
into four categories:(i) NS3/4A protease inhibitors: ABT-450/r, faldaprevir, asunaprevir, GS …

Lipoteichoic acid synthase (LtaS) is a key enzyme for the cell wall biosynthesis of Gram-
positive bacteria. Gram-positive bacteria that lack lipoteichoic acid (LTA) exhibit impaired …

Respiratory disease caused by a novel coronavirus, COVID-19, has been labeled a
pandemic by the World Health Organization. Very little is known about the infection …

Novel 13α-estrone derivatives have been synthesized via direct arylation of the phenolic
hydroxy function. Chan–Lam couplings of arylboronic acids with 13α-estrone as a …

Hepatitis C virus (HCV) infection has become a global health problem with enormous risks.
Nonstructural protein 5B (NS5B) RNA-dependent RNA polymerase (RdRp) is a component …