Results 11 to 20 of about 2,749,023 (281)

Target deconvolution of HDAC pharmacopoeia reveals MBLAC2 as common off-target. [PDF]

Nat Chem Biol, 2022
Drugs that target histone deacetylase (HDAC) entered the pharmacopoeia in the 2000s. However, some enigmatic phenotypes suggest off-target engagement. Here, we developed a quantitative chemical proteomics assay using immobilized HDAC inhibitors and mass spectrometry that we deployed to establish the target landscape of 53 drugs.
Lechner S, Malgapo MIP, Grätz C, Steimbach RR, Baron A, Rüther P, Nadal S, Stumpf C, Loos C, Ku X, Prokofeva P, Lautenbacher L, Heimburg T, Würf V, Meng C, Wilhelm M, Sippl W, Kleigrewe K, Pauling JK, Kramer K, Miller AK, Pfaffl MW, Linder ME, Kuster B, Médard G.   +24 more
europepmc   +4 more sources

Exploiting polypharmacology for drug target deconvolution. [PDF]

Proc Natl Acad Sci U S A, 2014
Significance Protein kinase inhibitors represent a major class of anticancer drugs, which are notoriously unspecific. Efforts to exploit the polypharmacology of inhibitors for target deconvolution have met with little success. Our significant contribution is to apply regularized regression to kinase expression and kinase profiling on ...
Gujral TS, Peshkin L, Kirschner MW.
europepmc   +4 more sources

Affinity-based target deconvolution of safranal. [PDF]

Daru, 2013
AbstractBackground and the purpose of the studyAffinity-based target deconvolution is an emerging method for the identification of interactions between drugs/drug candidates and cellular proteins, and helps to predict potential activities and side effects of a given compound. In the present study, we hypothesized that a part of safranal pharmacological
Hosseinzadeh H, Mehri S, Abolhassani MM, Ramezani M, Sahebkar A, Abnous K.   +5 more
europepmc   +4 more sources

Target deconvolution studies of (2R,6R)-hydroxynorketamine: an elusive search. [PDF]

Mol Psychiatry, 2022
The off-label use of racemic ketamine and the FDA approval of (S)-ketamine are promising developments for the treatment of depression. Nevertheless, racemic ketamine and (S)-ketamine are controlled substances with known abuse potential and their use is associated with undesirable side effects.
Bonaventura J, Gomez JL, Carlton ML, Lam S, Sanchez-Soto M, Morris PJ, Moaddel R, Kang HJ, Zanos P, Gould TD, Thomas CJ, Sibley DR, Zarate CA, Michaelides M.   +13 more
europepmc   +3 more sources

Validation of solvent proteome profiling for antimalarial drug target deconvolution. [PDF]

Int J Parasitol Drugs Drug Resist
Abstract Malaria remains a global health threat, with rising drug resistance accelerating the urgent need for new therapeutics. Target elucidation is a critical step in antimalarial drug discovery, enabling a deeper understanding of the molecular mechanisms of action of both existing and novel compounds.
Ji Y, Morrow JP, MacRaild CA, Zhang H, Giannangelo C, Schittenhelm RB, Creek DJ, Siddiqui G.   +7 more
europepmc   +3 more sources

Elucidating the Mechanisms of Action of Antimicrobial Agents

mBio, 2022
Despite the ever-growing antibiotic resistance crisis, the rate at which new antimicrobials are being discovered and approved for human use has rapidly declined over the past 75 years. A barrier for advancing newly identified antibiotics beyond discovery
M. Ashley Hudson, Steve W. Lockless
doaj   +1 more source

Application of a New Scaffold Concept for Computational Target Deconvolution of Chemical Cancer Cell Line Screens [PDF]

ACS Omega, 2017
Jürgen Bajorath, Dilyana Dimova, Ryo Kunimoto   +2 more
exaly   +2 more sources

A brief introduction to chemical proteomics for target deconvolution.

European review for medical and pharmacological sciences, 2022
Drug-target relationships provide the basis for network-based polypharmacology, and target deconvolution is a key step in phenotypic-screening based drug discovery. Due to the complexity of the mammalian proteomics and the often-limited affinity of the lead compound, it is challenging to identify the drug targets, especially when the goal is to ...
Dong, Z.-C., Wang, Y., Yang, F., Wan, F.
openaire   +2 more sources

The Use of AlphaFold for In Silico Exploration of Drug Targets in the Parasite Trypanosoma cruzi

Frontiers in Cellular and Infection Microbiology, 2022
Chagas disease is a devastating neglected disease caused by the parasite Trypanosoma cruzi, which affects millions of people worldwide. The two anti-parasitic drugs available, nifurtimox and benznidazole, have a good efficacy against the acute stage of ...
Albert Ros-Lucas, Nieves Martinez-Peinado, Jaume Bastida, Joaquim Gascón, Joaquim Gascón, Julio Alonso-Padilla, Julio Alonso-Padilla   +6 more
doaj   +1 more source

A Small Target Localization Method Based on the Magnetic Gradient Tensor

Micromachines, 2022
Currently, many small target localization methods based on a magnetic gradient tensor have problems, such as complex solution processes, poor stability, and multiple solutions.
Bo Wang, Guoquan Ren, Zhining Li, Qingzhu Li, Ziming Cai   +4 more
doaj   +1 more source