Results 161 to 170 of about 73,306 (292)

Pilot study on benzene exposure risks in healthcare workers: a combined socio-demographic and computational toxicology approach. [PDF]

Front Public Health
Zhang Y, Nisa WU, Rashid A, Saleem AR, Riaz L, Kalsoom S, Idris AM, Yu G, Ullah H.   +8 more
europepmc   +1 more source

Nanoinformatics 2010 Program [PDF]

, 2010
Baker, Nathan A, Chaka, Anne, Cohen, Yoram, Colvin, Vicki, Fritts, Martin, Geraci, Charles L., Hoover, Mark D, Ku, Sharon, Kulinowski, Kristen M, Lippell, Phil, Luo, James, McLennan, Michael, Morse, Jeffrey, Ostraat, Michele L, Rajan, Krishna, Reznik-Zellen, Rebecca, Schad, Peter, Tuominen, Mark T.   +17 more
core  

Comprehensive Insights into Natural Bioactive Compounds: From Chemical Diversity and Mechanisms to Biotechnological Innovations and Applications

ChemistryOpen, EarlyView.
Natural products derived from plants, animals, fungi, bacteria, and minerals contain diverse bioactive classes such as alkaloids, flavonoids, terpenoids, saponins, tannins, and phenolics. These natural products work through different mechanisms, including ROS inhibition, NF‐κB suppression, and cytokine regulation, and exhibit wide applications across ...
Sajid Ali, Atif Ali Khan Khalil, Muhammad Saeed Akhtar, Adnan Amin, Wajid Zaman   +4 more
wiley   +1 more source

Evaluating the Enantioselective Neurotoxicity of Organophosphorus Pollutant Dioxabenzofos: Mechanistic Studies Employing Cellular, Molecular, and Computational Toxicology Assays. [PDF]

ACS Omega
He ZC, Zhang T, Lu XF, Li R, Mei Q, Wang QZ, Ding F, Peng W.   +7 more
europepmc   +1 more source

Progress in data interoperability to support computational toxicology and chemical safety evaluation. [PDF]

Toxicol Appl Pharmacol, 2019
Watford S, Edwards S, Angrish M, Judson RS, Paul Friedman K.   +4 more
europepmc   +1 more source

Disarming the Hsp70–Bim Alliance: Small‐Molecule and Peptidic Disruptors of a Chaperone‐Apoptotic Switch in Cancer

ChemistryOpen, EarlyView.
Targeting a nucleotide‐sensitive groove on Hsp70 that binds the Bim BH3 helix, we integrate structures, biophysics, and SAR from peptides, fragments, and phenalene‐dicarbonitrile “wedges.” These disrupt the Hsp70–Bim complex with sub‐µM cellular engagement and in vivo activity while sparing Hsp90/mortalin.
Emadeldin M. Kamel, Mohammed Al‐zharani, Lina M. Alneghery, Noha A. Ahmed, Faris F. Aba Alkhayl, Al Mokhtar Lamsabhi   +5 more
wiley   +1 more source

Research trends of computational toxicology: a bibliometric analysis. [PDF]

Toxicol Res (Camb)
Yarmohammadi F, Hayes AW, Karimi G.
europepmc   +1 more source

EPA's DSSTox database: History of development of a curated chemistry resource supporting computational toxicology research. [PDF]

Comput Toxicol, 2019
Grulke CM, Williams AJ, Thillanadarajah I, Richard AM.   +3 more
europepmc   +1 more source

Computational Evaluation of Statin Analogs Targeting HMG‐CoA Reductase for Coronary Artery Disease Treatment

ChemistryOpen, EarlyView.
Molecular dynamics analysis of novel statin analogs shows that binding induces superior stabilization of HMG‐CoA reductase. As shown by the solvent‐accessible surface area profile, ligand‐induced rigidity offers a new, effective strategy for drug design. Cardiovascular diseases remain a leading cause of global mortality.
Yoshua B. Mtulo, Geradius Deogratias, James E. Mgaya, Andrew S. Paluch, Lucas Paul   +4 more
wiley   +1 more source

Sotalol Dose Optimization for Fetal Tachycardia: A Pregnancy Physiologically Based Pharmacokinetic Model Study

Prenatal Diagnosis, EarlyView.
ABSTRACT Objective To establish an optimized sotalol dosing strategy for fetal tachycardia using a pregnancy physiologically based pharmacokinetic (PBPK) model. Method A verified PBPK model was developed incorporating pregnancy‐induced physiological changes and placental transfer.
Hedwig van Hove, Joyce E. M. van der Heijden, Anne van Uden, Violette M. G. J. Gijsen, Rick Greupink, Saskia N. de Wildt, Joris van Drongelen   +6 more
wiley   +1 more source