Letters in Drug Design & Discovery - Volume 21, Issue 10, 2024

Introduction: Pesticides have lethal properties, capable of controlling or eliminating a living organism; they block the organisms' vital metabolic processes. They cause serious problems for human health, as they are highly toxic. The most used pesticides that are considered toxic are known as organophosphothioates (OP/P=S) in their commercialized form and organophosphates (OP/P=O) in their active form. These compoun Read More

Introduction: Natural compounds obtained from marine algae, especially Rhodophyta are now being investigated for various biological activities. However, the antimicrobial activity and toxicity profile of compounds present in these algae isunderexplored. Objective: This study procured two compounds, Debilon and Phorbasterone-B, from Rhodophyta to analyze their in silico and in vitro potential against pathogenic bacterial Read More

Background & Objectives: Heterocyclic pyrimidine and pyrazole rings have attracted the interest of medicinal chemists because of their pharmacological potential including antimicrobial activity. Based on molecular hybridization, new chalcones 6a-g and pyrimidines 7a-g based on a pyrazole scaffold were designed. Methods: The synthesis of these compounds involved mild condensation reactions between compound Read More

Objective: The mechanism of Vaccaria segetalis (VS) seeds and Gleditsia sinensis Lam (GS) thorns in the treatment of prostate cancer (PC) was analyzed via network pharmacological analysis methods and molecular docking. Methods: The Traditional Chinese Medicine Systems Pharmacology Database Platform (TCMSP) was used to screen the PC’s effective components and targets; GeneCards and OMIM databases to search f Read More

Aims: In silico Identification of Novel SphK1 Inhibitors. Background: A tumor is one of the major causes of death worldwide; the emergence of new targeted drugs has changed the mode of tumor treatment and opened up the era of targeted therapy. Sphingosine kinase 1 (SphK1) is a strictly conserved lipid checkpoint kinase, mainly located in the cytosol, and is overexpressed and enhances the development and progression o Read More