Search results for "MTBC"

showing 2 items of 2 documents

Similarity-Based Virtual Screening to Find Antituberculosis Agents Based on Novel Scaffolds: Design, Syntheses and Pharmacological Assays

2022

A method to identify molecular scaffolds potentially active against the Mycobacterium tuberculosis complex (MTBC) is developed. A set of structurally heterogeneous agents against MTBC was used to obtain a mathematical model based on topological descriptors. This model was statistically validated through a Leave-n-Out test. It successfully discriminated between active or inactive compounds over 86% in database sets. It was also useful to select new potential antituberculosis compounds in external databases. The selection of new substituted pyrimidines, pyrimidones and triazolo[1,5-a]pyrimidines was particularly interesting because these structures could provide new scaffolds in this field. T…

Inorganic ChemistryOrganic ChemistryMicrobiologiaMicrobiologia mèdicaFísicaGeneral MedicinePhysical and Theoretical ChemistryMTBC; virtual screening; topological indices; linear discriminant analysis; pharmacological activity distribution diagrams; antimicrobial drugs; drug designMolecular BiologySpectroscopyCatalysisComputer Science ApplicationsInternational Journal of Molecular Sciences
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BLAST Database with all accesible non-tuberculous mycobacteria genomic sequences (Oct, 2018)

2019

In our work "Towards next generation diagnostics for tuberculosis: identification of novel molecular targets by large-scale comparative genomics" (https://doi.org/10.1101/569384 ). We look for M. tuberculosis genes that are not present in organisms other tan MTBC. This database corresponds with the described database of 4,277 NTM assemblies.

blast database tuberculosis non-tuberculous mycobacteria NTM MTBC
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