Design and tests of prospective property predictions for novel antimalarial 2-aminopropylaminoquinolones

Design and tests of prospective property predictions for novel antimalarial 2-aminopropylaminoquinolones

Publication: J Comput Aided Mol Des
Software: ADMET Predictor®
Division: PBPK

There is a pressing need to improve the efficiency of drug development, and nowhere is that need more clear than in the case of neglected diseases...

Profiling the antidepressant properties of phenyl piperidine derivatives as inhibitors of serotonin transporter (SERT) via cheminformatics modeling, molecular docking and ADMET predictions

Profiling the antidepressant properties of phenyl piperidine derivatives as inhibitors of serotonin transporter (SERT) via cheminformatics modeling, molecular docking and ADMET predictions

Publication: Sci African
Software: ADMET Predictor®

The inhibition of serotonin transporter (SERT) has been considered to be a good target for the treatment of mood disorders (depression).

Predicting the effect of prandial stage and particle size on absorption of ODM-204

Predicting the effect of prandial stage and particle size on absorption of ODM-204

Publication: Eur J Pharm Biopharm
Software: GastroPlus®

The prediction of absorption properties plays a key role in formulation development when the compound under development shows poor solubility...

Tyrosol 1,2,3-triazole analogues as new acetylcholinesterase (AChE) inhibitors

Tyrosol 1,2,3-triazole analogues as new acetylcholinesterase (AChE) inhibitors

Publication: Comput Biol Chem
Software: ADMET Predictor®

The present work proposed the preparation of triazolic analogues of tyrosol, a biophenol found in olive oil and whose wide range of bioactivities...

In Silico studies of novel Sildenafil self-emulsifying drug delivery system absorption improvement for pulmonary arterial hypertension

In Silico studies of novel Sildenafil self-emulsifying drug delivery system absorption improvement for pulmonary arterial hypertension

Publication: An Acad Bras Cienc
Software: GastroPlus®

Sildenafil is a potent selective inhibitor of phosphosdiesterase-5 previously used in erectile dysfunction and subsequently approved in 2005 for pulmonary...

Chemical space and diversity of seaweed metabolite database (SWMD): A cheminformatics study

Chemical space and diversity of seaweed metabolite database (SWMD): A cheminformatics study

Publication: J Mol Graph Model
Software: ADMET Predictor®

Seaweeds have attracted attention in the past decade as a biological source of highly diverse secondary metabolites with great potential in the...

Effect of Fremanezumab Monthly and Quarterly Doses on Efficacy Responses

Effect of Fremanezumab Monthly and Quarterly Doses on Efficacy Responses

Publication: Headache

Exposure-response (E-R) models were developed to provide a description of the time-course of treatment effect for monthly and quarterly dosing regimens of...

Effect of the structural factors of organic compounds on the acute toxicity toward Daphnia magna

Effect of the structural factors of organic compounds on the acute toxicity toward Daphnia magna

Publication: SAR and QSAR in Env Research
Software: ADMET Predictor®

The acute toxicity of organic compounds towards Daphina magna was subjected to QSAR analysis.