Benzothiazole is a privileged scaffold in medicinal chemistry present in diverse bioactive compounds with multiple pharmacological applications such as,,,
Physiologically Based Absorption Modelling to Explore the Impact of Food and Gastric pH Changes on the Pharmacokinetics of Entrectinib
Entrectinib is a potent and selective tyrosine kinase inhibitor (TKI) of TRKA/B/C, ROS1, and ALK with both systemic...
Molecular docking and dynamics simulations studies of OmpATb identifies four potential novel natural product-derived anti-Mycobacterium tuberculosis compounds
The outer membrane protein A (OmpATb) of Mycobacterium tuberculosis is a virulence factor that neutralizes the host pH to impede...
Advanced analytical techniques based on high-resolution mass spectrometry for the detection of micropollutants and their toxicity in aquatic environments
An abundance of micropollutants (MPs) in treated wastewater (WW) and occasionally even in drinking water represents a global threat from...
In Vitro Dissolution Profiles Similarity Assessment in Support of Drug Product Quality: What, How, When—Workshop Summary Report
The pharmaceutical industry and regulatory agencies rely on dissolution similarity testing to make critical product performance decisions as part of drug product life cycle management.
Biopharmaceutic In Vitro In Vivo Extrapolation (IVIV_E) Informed Physiologically-Based Pharmacokinetic Model of Ritonavir Norvir Tablet Absorption in Humans Under Fasted and Fed State Conditions
Ritonavir is a well-known CYP3A4 and CYP2D6 enzyme inhibitor, frequently used to assess the drug–drug interaction (DDI) liability of susceptible drugs.
Design, synthesis, in vitro and in silico studies of novel 4-oxoquinoline ribonucleoside derivatives as HIV-1 reverse transcriptase inhibitors
Human immunodeficiency virus type 1 (HIV-1) is a public health problem that affects over 38 million people worldwide.
An interim internal Threshold of Toxicologic Concern (iTTC) for chemicals in consumer products, with support from an automated assessment of ToxCast™ dose response data
Additional non-animal methods are urgently needed to meet regulatory and animal welfare goals.
Cyto-genotoxic effects of Pinoxaden on Allium cepa L. roots
Pinoxaden is the one of the acetyl-CoA carboxylases (ACCase) inhibiting herbicides and used for controlling grass weeds.
Druggability and drug-likeness concepts in drug design: are biomodelling and predictive tools having their say?
The drug discovery process typically involves target identification and design of suitable drug molecules against these targets.
Schiff bases of 4-Phenyl-2-Aminothiazoles as hits to new antischistosomals: Synthesis, in vitro, in vivo and in silico studies
The treatment of schistosomiasis is based on a single drug, the praziquantel (PZQ), an oral bioavailable and efficient agent which causes minimal side effects.
Application of structural and functional pharmacokinetic analogs for physiologically based pharmacokinetic model development and evaluation
This work provides case studies for the pharmacokinetic (PK) analog approach, where a physiologically based pharmacokinetic (PBPK) model for a...
Design, synthesis and evaluation of novel nonquaternary and 3 non-oxime reactivators for acetylcholinesterase inhibited by organophosphates
A new series of novel nonquaternary conjugates and non-oxime reactivators for reactivation of both nerve agents and pesticides inhibited...
Current State and Future Expectations of Translational Modeling Strategies to Support Drug Product Development, Manufacturing Changes and Controls: A Workshop Summary Report
The implementation of clinically relevant drug product specifications (CRDPS) depends on establishing a link between in vitro performance and in vivo exposure.
Omics for Bioprospecting and Drug Discovery from Bacteria and Microalgae
“Omics” represent a combinatorial approach to high-throughput analysis of biological entities for various purposes.
Computational Prediction and Experimental Validation of ADMET Properties for Potential Therapeutics
The drug development process in the United States is an expensive and lengthy process, usually taking a decade or more to gain approval for a...
American Association of Pharmaceutical Scientists (AAPS) and Chinese National Institutes for Food and Drug Control (NIFDC) Joint Workshop on Dissolution, Bioequivalence, Product Performance, and Quality
The second joint workshop sponsored by the American Association of Pharmaceutical Scientists...
Absorption, distribution, metabolism, excretion, and toxicity evaluation of Papua red fruit flavonoids through a computational study
Red Fruit (RF) (Pandanus conoideus Lam.) was used as traditional medicine for Papuans and consumed as a daily meal.
Oligoadenylate Synthetase 1 enhances DNA sensor cGAS translation to mediate WNV antiviral activity
Interferons inhibit virus replication through the expression of interferon stimulated genes (ISGs).
Amorphous Solid Dispersions in Early Stage of Formulation Development: Predicting Excipient Influence on Dissolution Profiles Using DDDPlus
Excipients play an important role in the formulation of dosage forms and can be used to improve the bioavailability
of a drug through physical interactions that alter the rate of dissolution of a drug.