JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Understanding the structure and activation mechanism of class C GPCRs: structural insights from molecular dynamics simulations

The synthesis, carbonic anhydrase and acetylcholinesterase inhibition effects of sulfonyl chloride moiety containing oxazolidinones using an intramolecular aza-Michael addition

New sulfonamide derivatives based on 1,2,3-triazoles: synthesis, <i>in vitro</i> biological activities and <i>in silico</i> studies

Unravelling the phenolic compound reserves, antioxidant and enzyme inhibitory activities of an endemic plant species, <i>Achillea pseudoaleppica</i>

Discovery of new 1,4-disubstituted 1,2,3-triazoles: <i>in silico</i> ADME profiling, molecular docking and biological evaluation studies

Rational design of 1,2,3-triazole hybrid structures as novel anticancer agents: synthesis, biological evaluation and molecular docking studies

Design, synthesis, and computational studies of benzimidazole derivatives as new antitubercular agents

Novel tetrakis-phthalocyanines bearing pyrimidine derivative: crystal XRD analysis, enzyme inhibition, molecular docking, and anticancer effects

A safe alternative synthesis of primary carbamates from alcohols; <i>in vitro</i> and <i>in silico</i> assessments as an alternative acetylcholinesterase inhibitors

Molecular docking and inhibition studies of vulpinic, carnosic and usnic acids on polyol pathway enzymes

Novel inhibitors with sulfamethazine backbone: synthesis and biological study of multi-target cholinesterases and α-glucosidase inhibitors

Design, synthesis, characterization, biological evaluation, and molecular docking studies of novel 1,2-aminopropanthiols substituted derivatives as selective carbonic anhydrase, acetylcholinesterase and α-glycosidase enzymes inhibitors

Phthalocyanine complexes with (4-isopropylbenzyl)oxy substituents: preparation and evaluation of anti-carbonic anhydrase, anticholinesterase enzymes and molecular docking studies

A novel method for explaining the product inhibition mechanisms via molecular docking: inhibition studies for tyrosinase from <i>Agaricus bisporus</i>

Metal contained Phthalocyanines with 3,4-Dimethoxyphenethoxy substituents: their anticancer, antibacterial activities and their inhibitory effects on some metabolic enzymes with molecular docking studies

Novel quinazolin-sulfonamid derivatives: synthesis, characterization, biological evaluation, and molecular docking studies

<i>In vitro and in silico</i> enzyme inhibition effects of some metal ions and compounds on glutathione S-transferase enzyme purified from <i>Vaccinium arctostapylous</i> L.

Molecular docking and inhibition profiles of some antibiotics on lactoperoxidase enzyme purified from bovine milk

Design, synthesis and antiproliferative activity evaluation of fluorine-containing chalcone derivatives

Benzenesulfonamide derivatives as potent acetylcholinesterase, α-glycosidase, and glutathione S-transferase inhibitors: biological evaluation and molecular docking studies

Determination of anticancer properties and inhibitory effects of some metabolic enzymes including acetylcholinesterase, butyrylcholinesterase, alpha-glycosidase of some compounds with molecular docking study

Cytotoxic effects, carbonic anhydrase isoenzymes, α-glycosidase and acetylcholinesterase inhibitory properties, and molecular docking studies of heteroatom-containing sulfonyl hydrazone derivatives

Synthesis, characterization, powder X-ray diffraction analysis, thermal stability, antioxidant properties and enzyme inhibitions of M(II)-Schiff base ligand complexes

A study on the effects of inhibition mechanism of curcumin, quercetin, and resveratrol on human glutathione reductase through <i>in vitro</i> and <i>in silico</i> approaches

The biological activities, molecular docking studies, and anticancer effects of 1-arylsuphonylpyrazole derivatives

An efficient synthesis of novel di-heterocyclic benzazole derivatives and evaluation of their antiproliferative activities