The aim of docking is to accurately predict the structure of a ligand within the constraints of a
receptor binding site and to correctly estimate the strength of binding. We discuss, in detail …

Protoporphyrinogen oxidase (PPO, EC 1.3. 3.4) is known as a key action target for several
structurally diverse herbicides. As a continuation of our research work on the development of …

Acetylcholinesterase (AChE) is an essential enzyme that terminates cholinergic
transmission by rapid hydrolysis of the neurotransmitter acetylcholine. Compounds inhibiting …

In the present paper we propose a novel blind docking protocol based on Autodock-Vina.
The developed docking protocol can provide binding site identification and binding pose …

Dengue fever is an emerging public health concern, with several million viral infections
occur annually, for which no effective therapy currently exist. Non-structural protein 3 (NS-3) …

Feralolide, a dihydroisocoumarin, was isolated from the methanolic extract of resin of Aloe
vera. The present study aims to investigate the in vivo ability of feralolide to ameliorate …

Alzheimer's disease is the most common neurodegenerative disease and currently poses a
significant socioeconomic problem. This study describes the uses of computer-aided drug …

Molecular recognition events in biological systems are driven by non‐covalent interactions
between interacting species. Here, we have studied hydrogen bonds of the CH⋅⋅⋅ Y type …

Acetylcholinesterase inhibitors are prominent alternative in current clinical treatment for AD
patients. Therefore, there is a continued need to search for novel AChEIs with good clinical …

The alcoholic extract of Adhatoda vasica showed strong and reversible inhibition of the
enzyme acetyl cholinesterase (AChE) with an IC 50= 294 μg/mL. Phytochemical study of the …