Results 231 to 240 of about 41,275 (293)

Quantification of 10B and 11B in Biological Samples in Translational Science and Clinical Applications for Boron Neutron Capture Therapy (BNCT)

Medicinal Research Reviews, Volume 46, Issue 5, Page 1362-1389, September 2026.
ABSTRACT Boron neutron capture therapy (BNCT) is a targeted radiotherapy that exploits the selective accumulation of the 10B isotope within tumors, followed by irradiation with low‐energy neutrons to induce high linear energy transfer particles with short path lengths, resulting in localized tumor cell destruction while sparing surrounding healthy ...
Christoph Selg, Wolfgang A. G. Sauerwein, Evamarie Hey‐Hawkins   +2 more
wiley   +1 more source

Discovery of small molecule inhibitors of liver X receptor for pediatric metabolic disorders by structure based screening, modelling, dft analysis and MD simulation. [PDF]

Sci Rep
Chen F, Li D, Deng Q, Chen Z, Chen G, Xu W, Jiang X.   +6 more
europepmc   +1 more source

Structure-Guided Discovery of Selective Polo-Like Kinase 3 Inhibitors. [PDF]

ACS Med Chem Lett
Yap JL, Lovett G, Mason JW, Tucker J, Boe D, Chen A, Coffman KJ, DaSilva J, Dickinson T, Frattini V, Guan Y, Guiraldelli MF, Hou XJ, Jasti J, Kenton NT, Machin-Rivera R, Marroquin L, McClendon CL, McLaughlin M, Pecora A, Robinson MC, Stock IA, Tria GS, Tuttle J, Young JA, Zhang L, Lee AA.   +26 more
europepmc   +1 more source

DEL2PH4: Predictive 3D Pharmacophores from DNA-Encoded Library Screening Data. [PDF]

ACS Med Chem Lett
Feher M, Swett RJ, Walsh RT, Davis E, Williams CI.   +4 more
europepmc   +1 more source

Integrative Computational Chemistry Approaches in Modern Drug Discovery: Advances in Docking, Pharmacophore Modeling, Molecular Dynamics, and Virtual Screening. [PDF]

Pharmaceutics
Altharawi A, Alqahtani SM.
europepmc   +1 more source

Machine learning-based prediction of cross-immunity. [PDF]

Brief Bioinform
Resch VE, Tóth L, Rácz A, Virok D, Paragi G.   +4 more
europepmc   +1 more source

Ligand-Based Pharmacophore Modeling and Structure-Based Virtual Screening for Identifying Potential Therapeutic Agents Targeting the SARS-CoV-2 Spike Protein-ACE2 Receptor Interaction. [PDF]

ChemMedChem
Delgado-Maldonado T, Vargas-Salas G, Bandyopadhyay D, Moreno-Rodríguez A, Ortiz-Pérez E, Rivera G.   +5 more
europepmc   +1 more source

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The Desferrithiocin Pharmacophore

Journal of Medicinal Chemistry, 1994
The (S)-desferrithiocin (DFT) skeleton is shown to be a useful pharmacophore on which to design orally effective iron chelators. While the study clearly indicates that formal reduction of the desazadesmethyldesferrithiocin thiazoline to a thiazolidine (6), expansion of the desmethyldesferrithiocin thiazoline to a thiazine (7), or substitution of the ...
R J, Bergeron, C Z, Liu, J S, McManis, M X, Xia, S E, Algee, J, Wiegand   +5 more
openaire   +2 more sources

Spirooxindoles as Potential Pharmacophores

Mini-Reviews in Medicinal Chemistry, 2017
The spiroindole heterocyclic scaffold is found in many natural products and has been identified as an important bioactive agent. Over the past few decades, various spiroindole-containing compounds have been reported to possess biological properties and hence found in the structure of many synthetic pharmaceuticals.
Siva S, Panda, Rachel A, Jones, Praveen, Bachawala, Prabhu P, Mohapatra   +3 more
openaire   +3 more sources

Pharmacophore Modeling for ADME

Current Topics in Medicinal Chemistry, 2013
One of the major reasons for late-stage failure of drug candidates is due to problems uncovered in pharmacokinetics during clinical trials. There is now a general consensus for earlier consideration of these effects in the drug discovery process.
Osman F, Guner, J Phillip, Bowen
openaire   +2 more sources