Structure based pharmacophore modelling approach for the design of azaindole derivatives as DprE1 inhibitors for tuberculosis

ZINC 15 – Ligand Discovery for Everyone

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Pharmacy, Bioinformatics, Medicinal Chemistry +13

Novel Procedure for Modeling Ligand/Receptor Induced Fit Effects

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Pharmacy, Medicinal Chemistry, Computational Chemistry +16

Prediction of Protein–Ligand Binding Poses via a Combination of Induced Fit Docking and Metadynamics Simulations

Anthony J. Clark, Pratyush Tiwary, Ken Borrelli et al. · Journal of Chemical Theory and Computation · 2016 · 244 citations

Pharmacy, Chemistry, Medicinal Chemistry +16

Global tuberculosis targets and milestones set for 2016–2035: definition and rationale

Katherine Floyd, Philippe Glaziou, Rein M G J Houben et al. · The International Journal of Tuberculosis and Lung Disease · 2018 · 168 citations · Full text

Public Health, Health Policy, Infectious Disease Control +13

Azaindoles: Noncovalent DprE1 Inhibitors from Scaffold Morphing Efforts, Kill Mycobacterium tuberculosis and Are Efficacious <i>in Vivo</i>

Pravin S. Shirude, Radha Krishan Shandil, C Sadler et al. · Journal of Medicinal Chemistry · 2013 · 162 citations

Pharmacy, Medicinal Chemistry, Pharmacology +14