Modeling pathogen and host: in vitro, in vivo and in silico models of latent Mycobacterium tuberculosis infection

2005 ◽  
Vol 2 (2) ◽  
pp. 149-154 ◽  
Author(s):  
P. Ling Lin ◽  
Denise Kirschner ◽  
JoAnne L. Flynn
Keyword(s):  
Mycobacterium Tuberculosis ◽  
In Silico ◽  
Tuberculosis Infection ◽  
Mycobacterium Tuberculosis Infection ◽  
In Silico Models

scholarly journals In vivo γδ T Cell Priming to Mycobacterial Antigens by Primary Mycobacterium tuberculosis Infection and Exposure to Nonpeptidic Ligands

1999 ◽  
Vol 5 (7) ◽  
pp. 471-476 ◽  
Author(s):  
Fabrizio Poccia ◽  
Miroslav Malkovsky ◽  
Aaron Pollak ◽  
Vittorio Colizzi ◽  
Guido Sireci ◽  
...  
Keyword(s):  
Mycobacterium Tuberculosis ◽  
T Cell ◽  
Tuberculosis Infection ◽  
Γδ T Cell ◽  
Mycobacterium Tuberculosis Infection ◽  
T Cell Priming ◽  
Mycobacterial Antigens

scholarly journals Modeling In Vivo Pharmacokinetics and Pharmacodynamics of Moxifloxacin Therapy for Mycobacterium tuberculosis Infection by Using a Novel Cartridge System

2005 ◽  
Vol 49 (2) ◽  
pp. 853-856 ◽  
Author(s):  
Amy Sarah Ginsburg ◽  
Jin Lee ◽  
Samuel C. Woolwine ◽  
Jacques H. Grosset ◽  
Fayez M. Hamzeh ◽  
...  
Keyword(s):  
Mycobacterium Tuberculosis ◽  
Tuberculosis Infection ◽  
Robust Method ◽  
Pharmacokinetics And Pharmacodynamics ◽  
Mycobacterium Tuberculosis Infection ◽  
Antituberculosis Chemotherapy ◽  
In Vivo Pharmacokinetics

ABSTRACT To study the efficacy of moxifloxacin treatment for tuberculosis, we utilized a novel cartridge system to simulate in vivo pharmacokinetics. We found this system to be a robust method for modeling in vivo pharmacokinetics and present data supporting the utility of intermittent moxifloxacin treatment as a component of antituberculosis chemotherapy.

scholarly journals in Silico Docking and Molecular Dynamic Simulation of 3-Dehydroquinate Dehydratase from Mycobacterium Tuberculosis Through Virtual Screening and Pharmacokinetics Studies

2020 ◽  
Author(s):  
Mustafa Alhaji Isa ◽  
Muhammad M Ibrahim
Keyword(s):  
Mycobacterium Tuberculosis ◽  
Virtual Screening ◽  
Molecular Dynamic ◽  
In Silico ◽  
Md Simulation ◽  
Binding Energies ◽  
In Silico Docking ◽  
Pharmacokinetic Properties

The 3-hydroquinate synthase (DHQase) is an enzyme that catalyzes the third step of the shikimate pathway in <i>Mycobacterium tuberculosis</i> (MTB), by converting 3-dehydroquinate into 3-dehydroshikimate. In this study, the novel inhibitors of DHQase from MTB was identified using in silico approach. The crystal structure of DHQase bound to 1,3,4-trihydroxy-5-(3-phenoxypropyl)-cyclohexane-1-carboxylic acid (CA) obtained from the Protein Data Bank (PDB ID: 3N76). The structure prepared through energy minimization and structure optimization. A total of 9699 compounds obtained from Zinc and PubChem databases capable of binding to DHQase and subjected to virtual screening through Lipinski’s rule of five and molecular docking analysis. Eight (8) compounds with good binding energies, ranged between ─8.99 to ─8.39kcal/mol were selected, better than the binding energy of ─4.93kcal/mol for CA and further filtered for pharmacokinetic properties (Absorption, Distribution, Metabolism, Excretion, and Toxicity or ADMET). Five compounds (ZINC14981770, ZINC14741224, ZINC14743698, ZINC13165465, and ZINC8442077) which had desirable pharmacokinetic properties selected for molecular dynamic (MD) simulation and molecular generalized born surface area (MM-GBSA) analyses. The results of the analyses showed that all the compounds formed stable and rigid complexes after the 50ns MD simulation and also had a lower binding as compared to CA. Therefore, these compounds considered as good inhibitors of MTB after in vitro and in vivo validation.”

IN VITRO MODELS OF MYCOBACTERIUM TUBERCULOSIS DORMANCY, AND IN VIVO MODELS OF LATENT TUBERCULOSIS INFECTION

2019 ◽  
Vol 64 (5) ◽  
pp. 299-307
Author(s):  
M. V. Fursov ◽  
I. A. Dyatlov ◽  
V. D. Potapov
Keyword(s):  
Mycobacterium Tuberculosis ◽  
Latent Tuberculosis Infection ◽  
Latent Tuberculosis ◽  
In Vitro Models ◽  
Tuberculosis Infection ◽  
Published Data ◽  
In Vivo Models ◽  
Dormant State

Modeling of tuberculosis infection is carried out in order to clarify various aspects of the tuberculosis pathogenesis, as well as the testing of new anti-tuberculosis drugs. The characteristic of in vitro models (n = 16) for Mycobacterium tuberculosis dormant state and in vivo models (n = 14) for the latent tuberculosis infection involving several animal species published to date are presented in this review. A brief description of the models and the results obtained by the authors are presented. The analysis of the published data reflects the list of methodological procedures that allow researchers to study the mechanism of the transition of M. tuberculosis cells to a dormant state and reverse to metabolically active state, as well as the process of conversion of active tuberculosis infection to a latent tuberculosis and reactivation.

scholarly journals In vivo expression of innate immunity markers in patients with mycobacterium tuberculosis infection

2010 ◽  
Vol 10 (1) ◽  
Author(s):  
Pantelis Constantoulakis ◽  
Eftihia Filiou ◽  
Nikoletta Rovina ◽  
George Chras ◽  
Aggeliki Hamhougia ◽  
...  
Keyword(s):  
Innate Immunity ◽  
Mycobacterium Tuberculosis ◽  
Tuberculosis Infection ◽  
Mycobacterium Tuberculosis Infection ◽  
In Vivo Expression
Sign in / Sign up

Export Citation Format

Share Document