Introduction: DataWarrior is open and interactive software for data analysis and visualization
that integrates well-established and novel chemoinformatics algorithms in a single …

In this study, the density functional theory was used to explore the spectral and electronic
properties of the title molecule, as well as a molecular docking technique to evaluate its …

The discovery of a new drug is a multidisciplinary and very costly task. One of the major
steps is the identification of a lead compound, ie a compound with a certain degree of …

In the search of potential multi-target medicinal agents, new NOO-tridentate hydrazone
ligands (H2L1–H2L4)(1–4) and their transition metal (II) complexes (5–20) were synthesized …

Onchocerciasis is the leading cause of blindness and severe skin lesions which remain a
major public health problem, especially in tropical areas. The widespread use of antibiotics …

Malaria, a persistent and ancient adversary, continues to impact vast regions worldwide,
afflicting millions and severely affecting human health and well‐being. Recently, despite …

Background The process of drug development and discovery is costly and slow. Although an
understanding of molecular design principles and biochemical processes has progressed, it …

Ebola virus (EBOV) is one of the most lethal pathogens that can infect humans. The Ebola
viral protein VP35 (EBOV VP35) inhibits host IFN-α/β production by interfering with host …

The growing antimicrobial resistance (AMR) of pathogenic organisms to currently prescribed
drugs has resulted in the failure to treat various infections caused by these superbugs …

Several natural products (NPs) have displayed varying in vitro activities against methicillin-
resistant Staphylococcus aureus (MRSA). However, few of these compounds have not been …