Fundamental physical and chemical concepts behind “drug-likeness” and “natural product-likeness”
The discovery of a drug is known to be quite cumbersome, both in terms of the microscopic
fundamental research behind it and the industrial scale manufacturing process. A major …
fundamental research behind it and the industrial scale manufacturing process. A major …
Reverse docking, molecular docking, absorption, distribution, and toxicity prediction of artemisinin as an anti-diabetic candidate
Aldose reductase is an enzyme that catalyzes one of the steps in the sorbitol (polyol)
pathway that is responsible for fructose formation from glucose. In diabetes, aldose …
pathway that is responsible for fructose formation from glucose. In diabetes, aldose …
[PDF][PDF] In silico study of the active compounds in bitter melon (Momordica charantia L) as antidiabetic medication
Antidiabetic drugs are widely available in the market, but most medications have strong side
effects that may cause toxicity. Therefore, a search for new drug compounds that are more …
effects that may cause toxicity. Therefore, a search for new drug compounds that are more …
Designing of calixarene based drug carrier for dasatinib, lapatinib and nilotinib using multilevel molecular docking and dynamics simulations
Herein, an in-silico attempt was made to improve the pharmacological profile of second
generation tyrosine kinase inhibitors (TKI's) viz. dasatinib, lapatinib and nilotinib by forming …
generation tyrosine kinase inhibitors (TKI's) viz. dasatinib, lapatinib and nilotinib by forming …
In Silico Exploration of Vinca Domain Tubulin Inhibitors: A Combination of 3D‐QSAR‐Based Pharmacophore Modeling, Docking and Molecular Dynamics Simulations
A predictive ligand based quantitative pharmacophore model has been constructed to
extract the essential features accountable for the inhibition of vinca domain inhibitors. To …
extract the essential features accountable for the inhibition of vinca domain inhibitors. To …
Theoretical assessment of calix [n] arene as drug carriers for second generation tyrosine kinase inhibitors
With an endeavour to improve the bioavailability profile of Tyrosine kinase inhibitors (TKI's)
viz. gefitinib, regorafenib and sunitinib, the drug carrier based on calix [n] arene macrocycles …
viz. gefitinib, regorafenib and sunitinib, the drug carrier based on calix [n] arene macrocycles …
Potential targeting sites in brain and brain tumors
Brain tumors are associated with poor prognosis. Despite increasing understanding of the
biological pathways leading to brain tumor, the targeted approaches for effective drug …
biological pathways leading to brain tumor, the targeted approaches for effective drug …
In silico screening of Schleichera oleosa phytocompounds as estrogen receptors alpha inhibitors for breast cancer
RIA Pratiwi, T Rahayu… - JSMARTech: Journal of …, 2020 - jsmartech.ub.ac.id
This study aimed to predict the potential activity, toxicity, and interaction of fifteen bioactive
compounds from Schleichera oleosa as estrogen receptors alpha inhibitors via in silico …
compounds from Schleichera oleosa as estrogen receptors alpha inhibitors via in silico …
Uji In Vitro dan Studi In Silico Senyawa Turunan n'-benzoylisonicotinohydr
R Ruswanto, N Rahayuningsih… - Jurnal ILmu …, 2019 - jifi.farmasi.univpancasila.ac.id
Telah dilakukan penelitian tentang studi in vitro dan in silico senyawa turunan N-
Benzoylisonicotinohydrazide. Penelitian ini bertujuan untuk mengetahui bahwa senyawa …
Benzoylisonicotinohydrazide. Penelitian ini bertujuan untuk mengetahui bahwa senyawa …
Probing the opportunities for designing anthelmintic leads by sub-structural topology-based QSAR modelling
A quantitative structure–activity (QSAR) model has been developed for enriched tubulin
inhibitors, which were retrieved from sequence similarity searches and applicability domain …
inhibitors, which were retrieved from sequence similarity searches and applicability domain …