ReviewAAPS PharmSciTech2022
Simulation Models for Prediction of Bioavailability of Medicinal Drugs-the Interface Between Experiment and Computation.
Review in AAPS PharmSciTech, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 24 papers, 1 of them a synthesis that pooled it.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
24 citing papers in PubMed, 1 synthesis or guideline pooled it, 41 citations in OpenAlex.
- Exploring the potential of computer simulation models in drug testing and biomedical research: a systematic review.Frontiers in pharmacology · 2025Pooled it
- A Deep Learning Framework for the Discovery of Natural-Product Candidate Binders of Acetyl-CoA Carboxylase 2 (ACC2) with Potential Relevance to Cardiometabolic Lipid Metabolism.Pharmaceuticals (Basel, Switzerland) · 2026Article
- Computational discovery of emodin-based anthraquinones as PARP-1 inhibitors with relevance to ovarian and prostate cancer.Scientific reports · 2026Article
- Piperazine-Functionalized Nanoparticles Enable Oral Insulin Delivery in Obese Mice.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026Article
- Extracellular Vesicles Present in Bone Marrow Mesenchymal Stromal/Stem Cell Conditioned Media Restore Spermatogenesis in Azoospermic Mice.International journal of fertility & sterility · 2025Article
- Temperature-dependent solubilization and thermodynamic characteristics of ribociclib in varied {PEG 400 + water} combinations.BMC chemistry · 2025Article
- Investigation ofIn silico pharmacology · 2025Article
- ExploringFrontiers in pharmacology · 2025Article
- Molecular modeling, synthesis and biological evaluation of caffeic acid based Dihydrofolate reductase inhibitors.BMC chemistry · 2024Article
- Unraveling Cordia myxa's anti-malarial potential: integrative insights from network pharmacology, molecular modeling, and machine learning.BMC infectious diseases · 2024Article
- Predicting Food-Drug Interactions between Piperine and CYP3A4 Substrate Drugs Using PBPK Modeling.International journal of molecular sciences · 2024Article
- Solubility and thermodynamic analysis of aceclofenac in different {Carbitol + water} mixtures at various temperatures.BMC chemistry · 2024Article
- Exploring the diversity of microbes and natural products from fungus-growing termite tripartite symbiosis.Engineering microbiology · 2024Review
- Drug Repurposing against Novel Therapeutic Targets inCurrent medicinal chemistry · 2024Review
- Improving ADMET Prediction Accuracy for Candidate Drugs: Factors to Consider in QSPR Modeling Approaches.Current topics in medicinal chemistry · 2024Review
- Virtual screening and molecular dynamics studies of novel small molecules targetingIn silico pharmacology · 2024Article
- Solubility and Thermodynamics Data of Cabozantinib Malate in Various Aqueous Solutions of Dimethyl Sulfoxide at Different Temperatures.Molecules (Basel, Switzerland) · 2023Article
- Solubility and Thermodynamic Analysis of Isotretinoin in Different (DMSO + Water) Mixtures.Molecules (Basel, Switzerland) · 2023Article
- Transdermal Delivery of α-Aminophosphonates as Semisolid Formulations-An In Vitro-Ex Vivo Study.Pharmaceutics · 2023Article
- Relationship Between Dissolution Rate in Vitro and Absorption Rate in Vivo of Ketamine Prolonged-Release Tablets.European journal of drug metabolism and pharmacokinetics · 2023Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
7 authors at 2 institutions in 3 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The oral drug bioavailability (BA) problems have remained inevitable over the years, impairing drug efficacy and indirectly leading to eventual human morbidity and mortality. However, some conventional lab-based methods improve drug absorption leading to enhanced BA, and the recent experimental techniques are up-and-coming. Nevertheless, some have inherent drawbacks in improving the efficacy of poorly insoluble and low impermeable drugs. Drug BA and strategies to overcome these challenges were briefly highlighted. This review has significantly unravelled the different computational models for studying and predicting drug bioavailability. Several computational approaches provide mechanistic insights into the oral drug delivery system simulation of descriptors like solubility, permeability, transport protein-ligand interactions, and molecular structures. The in silico techniques have long been known still are just being applied to unravel drug bioavailability issues. Many publications have reported novel applications of the computational models towards achieving improved drug BA, including predicting gastrointestinal tract (GIT) drug absorption properties and passive intestinal membrane permeability, thus maximizing time and resources. Also, the classical molecular simulation models for free solvation energies of soluble-related processes such as solubilization, dissolutions, supersaturation, and precipitation have been used in virtual screening studies. A few of the tools are GastroPlus
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What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.