4.4 Article

Exploration of potential inhibitors for tuberculosis via structure-based drug design, molecular docking, and molecular dynamics simulation studies

Related references

Note: Only part of the references are listed.
Article Biochemistry & Molecular Biology

Density Functional Theory and Molecular Simulation Studies for Prioritizing Anaplastic Lymphoma Kinase Inhibitors

Nivya James et al.

APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY (2020)

Article Biochemistry & Molecular Biology

Synthesis and biological evaluation of new benzimidazole-1,2,3-triazole hybrids as potential α-glucosidase inhibitors

Nafise Asemanipoor et al.

BIOORGANIC CHEMISTRY (2020)

Article Multidisciplinary Sciences

Re-epithelialization and immune cell behaviour in an ex vivo human skin model

Ana Rakita et al.

SCIENTIFIC REPORTS (2020)

Article Chemistry, Medicinal

mycoCSM: Using Graph-Based Signatures to Identify Safe Potent Hits against Mycobacteria

Douglas E. Pires et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2020)

Article Chemistry, Multidisciplinary

Design, synthesis and evaluation of antitubercular activity of Triclosan analogues

Thomas A. Cinu et al.

ARABIAN JOURNAL OF CHEMISTRY (2019)

Article Chemistry, Medicinal

Design, synthesis and docking studies of benzimidazole derivatives as potential EGFR inhibitors

Ismail Celik et al.

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2019)

Article Biochemistry & Molecular Biology

Multi-Dimensional Screening Strategy for Drug Repurposing with Statistical Framework-A New Road to Influenza Drug discovery

K. Rohini et al.

CELL BIOCHEMISTRY AND BIOPHYSICS (2019)

Review Pharmacology & Pharmacy

Molecular dynamics simulations and novel drug discovery

Xuewei Liu et al.

EXPERT OPINION ON DRUG DISCOVERY (2018)

Article Chemistry, Multidisciplinary

Computational Assessment of Pharmacokinetics and Biological Effects of Some Anabolic and Androgen Steroids

Marin Roman et al.

PHARMACEUTICAL RESEARCH (2018)

Article Biochemistry & Molecular Biology

Synthesis, anti-bacterial and anti-protozoal activities of amidinobenzimidazole derivatives and their interactions with DNA and RNA

Andrea Bistrovic et al.

JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY (2018)

Article Biochemistry & Molecular Biology

Identification of Binding Mode and Prospective Structural Features of Novel Nef Protein Inhibitors as Potential Anti-HIV Drugs

Suri Moonsamy et al.

CELL BIOCHEMISTRY AND BIOPHYSICS (2017)

Review Chemistry, Organic

Synthesis and Medicinal Applications of Benzimidazoles: An Overview

Sreerama Rajasekhar et al.

CURRENT ORGANIC SYNTHESIS (2017)

Article Chemistry, Medicinal

Synthesis and Antioxidant Evaluation of Some Novel Benzimidazole Derivatives Containing a Triazole Nucleus

Fatih Yilmaz et al.

LETTERS IN DRUG DESIGN & DISCOVERY (2017)

Review Chemistry, Medicinal

Computational Multitarget Drug Design

Weilin Zhang et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2017)

Article Biochemical Research Methods

Pharmacophore searching: A potential solution for correcting unknown ligands (UNK) labelling errors in Protein Data Bank (PDB'S)

Musadiq Ibrahim et al.

JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2017)

Article Chemistry, Multidisciplinary

Novel drug targets for Mycobacterium tuberculosis: 2-heterostyrylbenzimidazoles as inhibitors of cell wall protein synthesis

Mohana Rao Anguru et al.

CHEMISTRY CENTRAL JOURNAL (2017)

Article Chemistry, Multidisciplinary

Molecular docking, MM/GBSA and 3D-QSAR studies on EGFR inhibitors

Raju Bathini et al.

JOURNAL OF CHEMICAL SCIENCES (2016)

Review Pharmacology & Pharmacy

The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities

Samuel Genheden et al.

EXPERT OPINION ON DRUG DISCOVERY (2015)

Article Biotechnology & Applied Microbiology

A new small molecule inhibits Streptococcus mutans biofilms invitro and in vivo

W. Pan et al.

JOURNAL OF APPLIED MICROBIOLOGY (2015)

Article Biochemistry & Molecular Biology

Structure-guided design and development of novel benzimidazole class of compounds targeting DNA gyraseB enzyme of Staphylococcus aureus

Renuka Janupally et al.

BIOORGANIC & MEDICINAL CHEMISTRY (2014)

Article Biochemistry & Molecular Biology

Antiviral activity of benzimidazole derivatives. III. Novel anti-CVB-5, anti-RSV and anti-Sb-1 agents

Michele Tonelli et al.

BIOORGANIC & MEDICINAL CHEMISTRY (2014)

Article Infectious Diseases

Combination therapy with iron chelation and vancomycin in treating murine staphylococcemia

G. Luo et al.

EUROPEAN JOURNAL OF CLINICAL MICROBIOLOGY & INFECTIOUS DISEASES (2014)

Article Chemistry, Medicinal

Second-Generation Antibacterial Benzimidazole Ureas: Discovery of a Preclinical Candidate with Reduced Metabolic Liability

Anne-Laure Grillot et al.

JOURNAL OF MEDICINAL CHEMISTRY (2014)

Article Chemistry, Multidisciplinary

Systems Biology Brings New Dimensions for Structure-Based Drug Design

Jianfeng Pei et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)

Article Biochemical Research Methods

Computer-Aided Drug Design: Lead Discovery and Optimization

Mingli Xiang et al.

COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING (2012)

Article Computer Science, Information Systems

Large-scale prediction of adverse drug reactions using chemical, biological, and phenotypic properties of drugs

Mei Liu et al.

JOURNAL OF THE AMERICAN MEDICAL INFORMATICS ASSOCIATION (2012)

Article Chemistry, Medicinal

Molecular properties prediction and synthesis of novel 1,3,4-oxadiazole analogues as potent antimicrobial and antitubercular agents

Mohamed Jawed Ahsan et al.

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2011)

Article Chemistry, Medicinal

Computer-Aided Drug Design for AMP-Activated Protein Kinase Activators

Zhanli Wang et al.

CURRENT COMPUTER-AIDED DRUG DESIGN (2011)

Article Chemistry, Multidisciplinary

Fast and Accurate Predictions of Binding Free Energies Using MM-PBSA and MM-GBSA

Giulio Rastelli et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2010)

Article Chemistry, Multidisciplinary

AutoDock4 and AutoDockTools4: Automated Docking with Selective Receptor Flexibility

Garrett M. Morris et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2009)

Article Chemistry, Medicinal

Clubbed [1,2,3] triazoles by fluorine benzimidazole: A novel approach to H37Rv inhibitors as a potential treatment for tuberculosis

Charansingh Gill et al.

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2008)

Article Biotechnology & Applied Microbiology

Drug-target network

Muhammed A. Yildirim et al.

NATURE BIOTECHNOLOGY (2007)

Article Biochemistry & Molecular Biology

Application of descriptors based on Lipinski's rules in the QSPR study of aqueous solubilities

Pablo R. Duchowicz et al.

BIOORGANIC & MEDICINAL CHEMISTRY (2007)

Review Cardiac & Cardiovascular Systems

The history of tuberculosis

Thomas M. Daniel

RESPIRATORY MEDICINE (2006)

Article Immunology

The global situation of MDR-TB

MA Espinal

TUBERCULOSIS (2003)