Results 221 to 230 of about 13,822,676 (240)

Protein-Protein Interaction Stabilizers from MD Simulation-Derived Pharmacophores. [PDF]

J Chem Inf Model
Ibrahim M, Zacharias M.
europepmc   +1 more source

Structure-Guided Identification of GPR84 Ligand Candidates With Potential Immunomodulatory Activities. [PDF]

ChemMedChem
Pham HT, Morales-Alvarez A, Gilbertson T, Nguyen H.   +3 more
europepmc   +1 more source

Quantum Pharmacophore-Based Virtual Screening Enables Prospective Discovery of Chemotype-Diverse Dengue NS5 Inhibitors. [PDF]

J Chem Inf Model
Martinov MN, Van Den Bergh A, Jacoby E, Kirov I, Nashev LG, Herasymenko O, Arrowsmith CH, Slater JW, Grell T, Maksimchuk K, Hack MD, Wu Z, Ohadi D, Borrenberghs D, Van Loock M, Mulakala C, Goethals O.   +16 more
europepmc   +1 more source

Graphene Oxide-Hydroxyapatite Nanocomposite Coatings and Extracellular Matrix Protein Interactions for Enhanced Osseointegration in Dental Implants. [PDF]

J Cell Mol Med
Saini RS, Binduhayyim RIH, Dermawan D, Kanji MA, Quadri SA, Heboyan A.   +5 more
europepmc   +1 more source

CReM-pharm: de novo 3D pharmacophore-based design with synthetic accessibility awareness. [PDF]

J Cheminform
Denzler A, Sriramulu DK, Pecha J, Polishchuk P.   +3 more
europepmc   +1 more source

3D Pharmacophore Model-Assisted Discovery of Novel CDC7 Inhibitors

ACS Medicinal Chemistry Letters, 2011
A ligand-based 3D pharmacophore model for serine/threonine kinase CDC7 inhibition was created and successfully applied in the discovery of novel 2-(heteroaryl)-6,7-dihydrothieno[3,2-c]pyridin-4(5H)-ones, easily synthesized from commercially available ...
Cynthia M Shafer
exaly   +2 more sources

Structure-based pharmacophore modeling 2. Developing a novel framework for structure-based pharmacophore model generation and selection

Journal of Molecular Graphics and Modelling, 2023
Pharmacophore models are three-dimensional arrangements of molecular features required for biological activity that are used in ligand identification efforts for many biological targets, including G protein-coupled receptors (GPCR).
Abby Parrill, Bernie Daigle, Daniel Baker   +2 more
exaly   +2 more sources

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Building a pharmacophore model for a novel class of antitubercular compounds

Il Farmaco, 2000
Mariangela Biava, Rossella Fioravanti, Fabrizio Manetti   +2 more
exaly  

Towards more accurate pharmacophore modeling: Multicomplex-based comprehensive pharmacophore map and most-frequent-feature pharmacophore model of CDK2

Journal of Molecular Graphics and Modelling, 2008
Jiao Yang, Yu-Quan Wei
exaly  

Development and evaluation of a pharmacophore model for inhibitors of aldosterone synthase (CYP11B2)

Bioorganic and Medicinal Chemistry Letters, 2006
Rolf Hartmann, Matthias Negri
exaly