PlasmoDocking: A User-Friendly Open-Source Web Tool for Virtual Screening Targeting Plasmodium falciparum Enzymes.

ABSTRACT: Virtual screening through molecular docking represents a fundamental computational methodology extensively employed in the identification of therapeutic compounds for malaria and other parasitic diseases. Although numerous software platforms are available, including AutodockGPU, the command-line interface requirements present significant barriers to non-specialized users, while multi-target screening protocols introduce additional complexity in receptor preparation procedures. To address these limitations, we developed Plasmodocking, a comprehensive web-based platform designed to automate molecular docking simulations against predefined Plasmodium falciparum targets (https://plasmodocking-unir.ecotechamazonia.com.br/). The platform enables users to submit up to 10 molecular structures (.sd

SUBMITTER: Guariero FL 

PROVIDER: S-EPMC12410038 | biostudies-literature | 2025 Sep

REPOSITORIES: biostudies-literature