Molecular Property Diagnostic Suite (MPDS TB ) is a web tool (http://mpds.osdd.net) designed to assist the in silico drug discovery attempts towards Mycobacterium tuberculosis (Mtb). MPDS TB tool has nine modules which are classified into data library (1-3), data processing (4-5) and data analysis (6-9). Module 1 is a repository of literature and related information available on the Mtb. Module 2 deals with the protein target analysis of the chosen disease area. Module 3 is the compound library consisting of 110.31 million unique molecules generated from public domain databases and custom designed search tools. Module 4 contains tools for chemical file format conversions and 2D to 3D coordinate conversions. Module 5 helps in calculating the molecular descriptors. Module 6 specifically handles QSAR model development tools using descriptors generated in the Module 5. Module 7 integrates the AutoDock Vina algorithm for docking, while module 8 provides screening filters. Module 9 provides the necessary visualization tools for both small and large molecules. The workflow-based open source web portal, MPDS TB 1.0.1 can be a potential enabler for scientists engaged in drug discovery in general and in anti-TB research in particular.
Mycobacterium tuberculosis (TB) used to be one of the most widespread infections around the world. However, with improvements in sanitation, access to therapy, and increased public health efforts, TB has almost been eliminated from the developed world. While classically located in the lungs, infection can spread to distant sites from either late stage complications or as a sequelae from immunosuppression. In this paper, we present a case of a 53-year-old female who presented with nonspecific neurological complaints and multiple ring-enhancing lesions in the brain who was eventually diagnosed with central nervous system (CNS) tuberculosis after a lengthy workup despite following guideline-directed management. The purpose of this case report is to review an approach for ring-enhancing lesions and clinical considerations for central nervous system tuberculosis and add to the limited body of literature on the subject.
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