Structural Dynamics Behind Clinical Mutants of PncA-Asp12Ala, Pro54Leu, and His57Pro of Mycobacterium tuberculosis Associated With Pyrazinamide Resistance

In silico homology modelling and prediction of novel epitopic peptides from P24 protein of Haemonchus contortus

(2019) G.V. Vedamurthy et al.   GENE

Pyrazinamide resistance and mutations in pncA among isolates of Mycobacterium tuberculosis from Khyber Pakhtunkhwa, Pakistan

(2019) Muhammad Tahir khan et al.   BMC INFECTIOUS DISEASES

Computational Screening and Analysis of Lung Cancer Related Non-Synonymous Single Nucleotide Polymorphisms on the Human Kirsten Rat Sarcoma Gene

(2019) Qiankun Wang et al.   MOLECULES

Prediction and validation of potent peptides against herpes simplex virus type 1 via immunoinformatic and systems biology approach

(2019) Aamir Mehmood et al.   Chemical Biology & Drug Design

In-silico approach to investigate death domains associated with nano-particle-mediated cellular responses

(2018) Hussaina Banu et al.   COMPUTATIONAL BIOLOGY AND CHEMISTRY

The World Health Organization standards for tuberculosis care and management

(2018) Christopher Gilpin et al.   EUROPEAN RESPIRATORY JOURNAL

A molecular dynamics investigation into the mechanisms of alectinib resistance of three ALK mutants

(2018) Muyang He et al.   JOURNAL OF CELLULAR BIOCHEMISTRY

Prevalence of Pyrazinamide Resistance in Khyber Pakhtunkhwa, Pakistan

(2018) Muhammad Tahir Khan et al.   Microbial Drug Resistance

Computational identification, characterization and validation of potential antigenic peptide vaccines from hrHPVs E6 proteins using immunoinformatics and computational systems biology approaches

(2018) Abbas Khan et al.   PLoS One

The global tuberculosis epidemic and progress in care, prevention, and research: an overview in year 3 of the End TB era

(2018) Katherine Floyd et al.   Lancet Respiratory Medicine

Investigation of structural stability and functionality of homodimeric gramicidin towards peptide-based drug: a molecular simulation approach

(2018) Pavithrra Ganesan et al.   JOURNAL OF CELLULAR BIOCHEMISTRY

Pyrazinamide resistance and mutations L19R, R140H, and E144K in Pyrazinamidase of Mycobacterium tuberculosis

(2018) Muhammad Tahir Khan et al.   JOURNAL OF CELLULAR BIOCHEMISTRY

Insights into the Mechanisms of the Pyrazinamide Resistance of Three Pyrazinamidase Mutants N11K, P69T, and D126N

(2018) Muhammad Junaid et al.   Journal of Chemical Information and Modeling

Role of pnc A gene mutations W68R and W68G in pyrazinamide resistance

(2017) Mansi Aggarwal et al.   JOURNAL OF CELLULAR BIOCHEMISTRY

A comprehensive characterization of PncA polymorphisms that confer resistance to pyrazinamide

(2017) Adam N. Yadon et al.   Nature Communications

Phenotypic and genotypic characterization of pyrazinamide resistance among multidrug-resistant Mycobacterium tuberculosis clinical isolates in Hangzhou, China

(2017) W. Liu et al.   CLINICAL MICROBIOLOGY AND INFECTION

Forces and Disease: Electrostatic force differences caused by mutations in kinesin motor domains can distinguish between disease-causing and non-disease-causing mutations

(2017) Lin Li et al.   Scientific Reports

Pyrazinamide resistance in Mycobacterium tuberculosis: Review and update

(2016) Moses Njire et al.   Advances in Medical Sciences

The Global Burden of Latent Tuberculosis Infection: A Re-estimation Using Mathematical Modelling

(2016) Rein M. G. J. Houben et al.   PLOS MEDICINE

Updates on the risk factors for latent tuberculosis reactivation and their managements

(2016) Jing-Wen Ai et al.   Emerging Microbes & Infections

Mechanistic analysis elucidating the relationship between Lys96 mutation in Mycobacterium tuberculosis pyrazinamidase enzyme and pyrazinamide susceptibility

(2015) Chakshu Vats et al.   BMC GENOMICS

Pyrazinamide: the importance of uncovering the mechanisms of action in mycobacteria

(2015) Matthias Stehr et al.   Expert Review of Anti-Infective Therapy

Mutations in the pncA and rpsA genes among 77 Mycobacterium tuberculosis isolates in Kazakhstan

(2015) A. Akhmetova et al.   INTERNATIONAL JOURNAL OF TUBERCULOSIS AND LUNG DISEASE

Structural basis for targeting the ribosomal protein S1 ofMycobacterium tuberculosisby pyrazinamide

(2015) Juanjuan Yang et al.   MOLECULAR MICROBIOLOGY

PubChem Substance and Compound databases

(2015) Sunghwan Kim et al.   NUCLEIC ACIDS RESEARCH

Tuberculosis and HIV Coinfection: Table 1.

(2015) Judith Bruchfeld et al.   Cold Spring Harbor Perspectives in Medicine

Molecular weight–gyration radius relation of globular proteins: a comparison of light scattering, small-angle X-ray scattering and structure-based data

(2015) Detlef-M. Smilgies et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

g_mmpbsa—A GROMACS Tool for High-Throughput MM-PBSA Calculations

(2014) Rashmi Kumari et al.   Journal of Chemical Information and Modeling

Characterization of pncA mutations in pyrazinamide-resistant Mycobacterium tuberculosis isolates from Korea and analysis of the correlation between the mutations and pyrazinamidase activity

(2014) Jee-Hyun Yoon et al.   WORLD JOURNAL OF MICROBIOLOGY & BIOTECHNOLOGY

Aspartate decarboxylase (PanD) as a new target of pyrazinamide in Mycobacterium tuberculosis

(2014) Wanliang Shi et al.   Emerging Microbes & Infections

Characterizing Binding of Small Molecules. II. Evaluating the Potency of Small Molecules to Combat Resistance Based on Docking Structures

(2013) Bo Ding et al.   Journal of Chemical Information and Modeling

Role of pncA and rpsA Gene Sequencing in Detection of Pyrazinamide Resistance in Mycobacterium tuberculosis Isolates from Southern China

(2013) Y. Tan et al.   JOURNAL OF CLINICAL MICROBIOLOGY

Mutations in panD encoding aspartate decarboxylase are associated with pyrazinamide resistance in Mycobacterium tuberculosis

(2013) Shuo Zhang et al.   Emerging Microbes & Infections

Diagnostic Accuracy and Reproducibility of WHO-Endorsed Phenotypic Drug Susceptibility Testing Methods for First-Line and Second-Line Antituberculosis Drugs

(2012) D. J. Horne et al.   JOURNAL OF CLINICAL MICROBIOLOGY

Reply to “Role ofrpsAGene Sequencing in Diagnosis of Pyrazinamide Resistance”

(2012) David C. Alexander et al.   JOURNAL OF CLINICAL MICROBIOLOGY

Role ofrpsAGene Sequencing in Diagnosis of Pyrazinamide Resistance: Table 1

(2012) Sami O. Simons et al.   JOURNAL OF CLINICAL MICROBIOLOGY

Free Energy Calculations by the Molecular Mechanics Poisson−Boltzmann Surface Area Method

(2012) Nadine Homeyer et al.   Molecular Informatics

Correlated Electrostatic Mutations Provide a Reservoir of Stability in HIV Protease

(2012) Omar Haq et al.   PLoS Computational Biology

Pyrazinoic Acid Decreases the Proton Motive Force, Respiratory ATP Synthesis Activity, and Cellular ATP Levels

(2011) Ping Lu et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Molecular modeling study on the resistance mechanism of HCV NS3/4A serine protease mutants R155K, A156V and D168A to TMC435

(2011) Weiwei Xue et al.   ANTIVIRAL RESEARCH

Molecular mechanism of HIV-1 integrase-vDNA interactions and strand transfer inhibitor action: A molecular modeling perspective

(2011) Weiwei Xue et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Crystal Structure of the Pyrazinamidase of Mycobacterium tuberculosis: Insights into Natural and Acquired Resistance to Pyrazinamide

(2011) Stéphanie Petrella et al.   PLoS One

Assessing the Performance of the MM/PBSA and MM/GBSA Methods. 1. The Accuracy of Binding Free Energy Calculations Based on Molecular Dynamics Simulations

(2010) Tingjun Hou et al.   Journal of Chemical Information and Modeling

Molecular Basis of the Interaction for an Essential Subunit PA−PB1 in Influenza Virus RNA Polymerase: Insights from Molecular Dynamics Simulation and Free Energy Calculation

(2009) Huanxiang Liu et al.   MOLECULAR PHARMACEUTICS

Structural and functional constraints in the evolution of protein families

(2009) Catherine L. Worth et al.   NATURE REVIEWS MOLECULAR CELL BIOLOGY

Effect of pyrazinamidase activity on pyrazinamide resistance in Mycobacterium tuberculosis

(2009) Patricia Sheen et al.   TUBERCULOSIS

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Radius of gyration as an indicator of protein structure compactness

(2008) M. Yu. Lobanov et al.   MOLECULAR BIOLOGY

Sequence-similar, structure-dissimilar protein pairs in the PDB

(2007) Mickey Kosloff et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS