Applications of biomolecular NMR to drug discovery

Identifying hospitalization episodes of care among people with and without HIV in British Columbia, Canada.

BMC medical research methodology·2025

Drug-like inhibitors of protein-protein interactions: a structural examination of effective protein mimicry.

Current protein & peptide science·2008

Structure of the Ras-binding domain of c-Raf-1 as determined by NMR spectroscopy and identification of the region that interacts with Ras.

Drug design and discovery·1996

Solution structure of the Ras-binding domain of c-Raf-1 and identification of its Ras interaction surface.

Biochemistry·1995

Characterization of a 78-residue fragment of c-Raf-1 that comprises a minimal binding domain for the interaction with Ras-GTP.

The Journal of biological chemistry·1994

Chemical shift assignments and folding topology of the Ras-binding domain of human Raf-1 as determined by heteronuclear three-dimensional NMR spectroscopy.

Biochemistry·1994

QSAR modeling of anti-HIV activities of alkenyldiarylmethanes using topological and physicochemical descriptors.

Drug design and discovery·2004

HIV-1 reverse transcriptase variants: molecular modeling of Y181C, V106A, L100I, and K103N mutations with nonnucleoside inhibitors using Monte Carlo simulations in combination with a linear response method.

Drug design and discovery·2004

Structural bioinformatics and QSAR analysis applied to the acetylcholinesterase and bispyridinium aldoximes.

Drug design and discovery·2004

Sulfonate ester hydroxamic acids as potent and selective inhibitors of TACE enzyme.

Drug design and discovery·2004

Predicting acyl-coenzyme A: cholesterol O-acyltransferase inhibitory activity: computational approach using topological descriptors.

Drug design and discovery·2004

Conformational analysis of globomycin with a signal peptidase II inhibitory activity using molecular dynamics simulation.

Drug design and discovery·2004

Insights into antifungal mechanism of cumin aldehyde against Magnaporthe oryzae.

Pest management science·2026

Gingival crevicular fluid cGAS-STING pathway-related biomarkers are associated with periodontal disease severity and diagnostic performance.

Archives of oral biology·2026

Kappa opioids suppress histaminergic itch by inhibiting mediodorsal thalamus-projecting claustrum glutamatergic neurons.

Science advances·2026

Synthesis of Chiral Adamantanes via Ni/Al Bimetal-Catalyzed Tertiary C-H Annulation of Formyladamantanes with Alkynes.

Organic letters·2026

A Pathogen-Hopping Approach for the Identification of Compounds with Multistage Antischistosomal Activity.

ACS infectious diseases·2026

Related Experiment Videos

Applications of biomolecular NMR to drug discovery

Related Concept Videos

Identifying hospitalization episodes of care among people with and without HIV in British Columbia, Canada.

Drug-like inhibitors of protein-protein interactions: a structural examination of effective protein mimicry.

Structure of the Ras-binding domain of c-Raf-1 as determined by NMR spectroscopy and identification of the region that interacts with Ras.

Solution structure of the Ras-binding domain of c-Raf-1 and identification of its Ras interaction surface.

Characterization of a 78-residue fragment of c-Raf-1 that comprises a minimal binding domain for the interaction with Ras-GTP.

Chemical shift assignments and folding topology of the Ras-binding domain of human Raf-1 as determined by heteronuclear three-dimensional NMR spectroscopy.

QSAR modeling of anti-HIV activities of alkenyldiarylmethanes using topological and physicochemical descriptors.

HIV-1 reverse transcriptase variants: molecular modeling of Y181C, V106A, L100I, and K103N mutations with nonnucleoside inhibitors using Monte Carlo simulations in combination with a linear response method.

Structural bioinformatics and QSAR analysis applied to the acetylcholinesterase and bispyridinium aldoximes.

Sulfonate ester hydroxamic acids as potent and selective inhibitors of TACE enzyme.

Predicting acyl-coenzyme A: cholesterol O-acyltransferase inhibitory activity: computational approach using topological descriptors.

Conformational analysis of globomycin with a signal peptidase II inhibitory activity using molecular dynamics simulation.

Insights into antifungal mechanism of cumin aldehyde against Magnaporthe oryzae.

Gingival crevicular fluid cGAS-STING pathway-related biomarkers are associated with periodontal disease severity and diagnostic performance.

Kappa opioids suppress histaminergic itch by inhibiting mediodorsal thalamus-projecting claustrum glutamatergic neurons.

Synthesis of Chiral Adamantanes via Ni/Al Bimetal-Catalyzed Tertiary C-H Annulation of Formyladamantanes with Alkynes.

A Pathogen-Hopping Approach for the Identification of Compounds with Multistage Antischistosomal Activity.

Related Experiment Videos

Applications of biomolecular NMR to drug discovery

Related Concept Videos

Related Articles