BACKGROUND Adverse outcome pathways (AOPs) link adverse effects in individuals or populations to a molecular initiating event (MIE) that can be quantified using in vitro methods. Practical application of AOPs in chemical-specific risk assessment requires incorporation of knowledge on exposure, along with absorption, distribution, metabolism, and excretion (ADME) properties of chemicals. OBJEC...

UNLABELLED In drug discovery research, the compounds should not only to be potent and selective but also must possess acceptable pharmacokinetic properties such as absorption, distribution, metabolism, and excretion (ADME) to increase success rate in clinical studies. OBJECTIVE Exploration of drug-like properties of 2-(2-methylquinolin-4-ylamino)-N-phenyl acetamide, a potent antileishmanial c...

Halogen bond has attracted a great deal of attention in the past years for hit-to-lead-to-candidate optimization aiming at improving drug-target binding affinity. In general, heavy organohalogens (i.e., organochlorines, organobromines, and organoiodines) are capable of forming halogen bonds while organofluorines are not. In order to explore the possible roles that halogen bonds could play beyon...

K. Webbley, S. Harris, J. Bloom, C. Henson, V. Wilson, C. Hawes, D. Price, J. Haffenden Pharmaron, Inc. Purpose Antisense Oligonucleotides (ASO), continue to elicit interest as novel therapeutic agents designed to specifically and selectively inhibit the production of various disease related gene products. For efficacy to occur, the therapeutic material must reach the site of action in quantiti...

Objective: In this study, it was aimed to carry out computational studies for the development of new molecules inhibition cyclophilin D (CypD) receptor, which causes disability mitochondrial function in multiple sclerosis (MS) disease. Material and Method: Pharmacophore modeling study applied via PharmaGist Web server CypD inhibitors detected by literature search. According best pharmacophore m...