It is well known that noncovalent bonds are weakened when stretched from their equilibrium
intermolecular separation. Quantum chemical calculations are used to examine and …

The development of novel and safe insecticides remains an important need for a growing
world population to protect crops and animal and human health. New chemotypes …

A new series of substituted benzo [h] chromene, benzochromenopyrimidine, and
benzochromenotriazolopyrimidine derivatives were synthesized via chemical …

Neuraminidase (NA) is an important target for the treatment of influenza. In this study, a new
lead NA inhibitor, 4 (ZINC01121127), was discovered by pharmacophore-based virtual …

Neuraminidase (NA) is an important target for current research on anti-influenza drugs. The
acylhydrazone derivatives containing the− CONHN═ CH–framework have been shown to …

Neuraminidase (NA) is an important target in the development of anti-influenza virus drugs.
Compounds containing 1, 3, 4-oxadiazole heterocycles have good biological activity and …

Insight into the key factors driving the competition of halogen and hydrogen bonds is
obtained by studying the affinity of the Lewis bases trimethylamine (TMA), dimethyl ether …

Neonicotinoid (NN) pesticides have emerged globally as one of the most widely used
agricultural tools for protecting crops from pest damage and boosting food production …

Structural features and selected physicochemical properties of four common pesticides:
acetamiprid (neonicotinoid), chlorpyriphos (organophosphate insecticide), deltamethrin …

Inspired by our earlier findings regarding neuraminidase (NA) inhibitors interacting with 150-
cavity or 430-cavity of NA, sixteen novel polyheterocyclic NA inhibitors with 1, 3, 4 …