Poorly soluble weak bases form a significant proportion of the drugs available in the market thereby making it imperative to...
Bicyclic α-Iminophosphonates as High Affinity Imidazoline I2 Receptor Ligands for Alzheimer’s Disease
Imidazoline I2 receptors (I2-IR), widely distributed in the CNS and altered in patients that suffer from neurodegenerative disorders ...
Simulation of the Pharmacokinetics of Oseltamivir and Its Active Metabolite in Normal Populations and Patients with Hepatic Cirrhosis Using Physiologically Based Pharmacokinetic Modeling
Oseltamivir is a neuraminidase inhibitor widely used to treat and prevent influenza A and B infections, although its safety and pharmacokinetics have not been evaluated in patients with severe hepatic impairment.
Identification of potential inhibitors of human methionine aminopeptidase (type II) for cancer therapy: Structure-based virtual screening, ADMET prediction and molecular dynamics studies
Methionine Aminopeptidases MetAPs are divalent-cofactor dependent enzymes that are responsible for the cleavage of the initiator...
In Vitro, In Silico, and In Vivo Assessments of Pharmacokinetic Properties of ZM241385
Parkinson's disease is one of the most common neurodegenerative diseases. Adenosine regulates the response to other neurotransmitters in the brain regions related to motor function.
Molecular docking and in-silico study of natural antagonists of ERalpha receptor: Potential candidates against breast cancer
Breast cancer is affecting the women in both developing and non-developing countries in a dangerous ratio. Estrogen receptor...
Design, synthesis, and biological evaluation of novel 4H-chromen-4-one derivatives as antituberculosis agents against multidrug-resistant tuberculosis
A series of 4H-chromen-4-one derivatives obtained by scaffold morphing of the benzofuran compound, TAM16...
User guide for the discovery of potential drugs via protein structure prediction and ligand docking simulation
Due to accumulating protein structure information and advances in computational methodologies, it has now become possible...
The role of small molecule Flt3 receptor protein-tyrosine kinase inhibitors in the treatment of Flt3-positive acute myelogenous leukemias
Flt3 is expressed by early myeloid and lymphoid progenitor cells and it regulates the proliferation and differentiation of hematopoietic cells.
Development of a Physiologically Based Pharmacokinetic Model for Prediction of Pramipexole Pharmacokinetics in Parkinson’s Disease Patients With Renal Impairment
Pramipexole is the first‐line medication recommended by the British National Institute for Health and Care Excellence.
Physiologically Based Pharmacokinetic Modeling and Tissue Distribution Characteristics of SHetA2 in Tumor-Bearing Mice
The orally available novel small molecule SHetA2 is the lead sulfur-containing heteroarotinoid that selectively inhibits cancer cells over normal cells, and is currently under clinical development for...
Medicinal importance of Ferula asafetida oligo- gum resins against infective diseases
Ferula foetida oligo-gum resin containing phytochemicals with anti-viral properties.
New insights into the vancomycin‐induced nephrotoxicity using in vitro metabolomics combined with physiologically based pharmacokinetic modeling
Vancomycin is a first‐line treatment for invasive infections caused by multidrug‐resistant gram‐positive bacteria.
Multifunctional 6-fluoro-3-[3-(pyrrolidin-1-yl)propyl]-1,2-benzoxazoles targeting behavioral and psychological symptoms of dementia (BPSD)
Patients suffering from dementia experience cognitive deficits and 90% of them show non-cognitive behavioral and psychological symptoms of dementia (BPSD).
Discovery of 9O-Substituted Palmatine Derivatives as a New Class of Anti-COL1A1 Agents Via Repressing TGF-β1/Smads and JAK1/STAT3 Pathways
Twenty 9O-substituted palmatine derivatives were prepared and tested for their biological effect against collagen...
The biorelevant simulation of gastric emptying and its impact on model drug dissolution and absorption kinetics
The highly variable physiological conditions within the gastrointestinal tract can cause variable drug release and absorption from the orally administrated dosage forms.
Efficient Pharmacokinetic Modeling Workflow With the MonolixSuite: A Case Study of Remifentanil
MonolixSuite is a software widely used for model‐based drug development.
Synthesis and biological activities of nitro‐hydroxy‐phenylquinolines; validation of antibiotics effect over DNA gyrase inhibition and antimicrobial activity
A family of 11 nitrophenol 2‐nitro‐5‐(4‐substituted phenylquinolin‐2‐yl)phenol derivatives (4, 4a‐j) was effectively...
What does it take to develop a PBPK model that mimics in vivo behavior of LAIs? Part II
This presentation will take a closer look at possible mechanisms affecting behavior of suspensions of low solubility drugs.
In Silico Strategies in Tuberculosis Drug Discovery
Tuberculosis (TB) remains a serious threat to global public health, responsible for an estimated 1.5 million mortalities in 2018.