Here, we presented values of XP-GScores for drugs selected from the SIDER database. Drugs were ranked with respect to the percentage of DM cases reported during the treatment. VS results for each gut hormone receptor were presented separately. For the sake of clarity, only one binding site for each receptor was presented here. We selected the binding site for which the Pearson correlation coefficient between the drug ranking based on XP-GScores and the drug ranking based on SIDER was the highest.</p
Unwanted side effects of drugs are a burden on pa-tients and a severe impediment in the development ...
The computational determination of binding modes for a ligand into a protein receptor is much more s...
AbstractSystems approaches to studying drug-side-effect (drug-SE) associations are emerging as an ac...
Here, we presented average values of XP-GScores obtained from virtual screening against all gut horm...
GUT-DOCK (Autodock VINA) results for selected beta-blockers (A). T2DM-related ranks were assigned ac...
In vitro secondary pharmacology assays are an important tool for predicting clinical adverse drug re...
A dataset comprising 55 molecules described by seven criteria was used. The criteria are composed of...
Unwanted side effects of drugs are a burden on patients and a severe impediment in the development o...
The term ‘receptorome ’ is now being used to describe receptors, ion channels and transporters in th...
Each bar indicates the t-value calculated using the Welch test. The bars are coloured based on the l...
<p>(A) Boxplot distributions of docking scores for DrugBank molecules docked to each of the nine sit...
Comparative docking studies have been performed on 10 drug molecules, which play a vital role in the...
<p>(a) Drug-target interactions from ChEMBL are combined with side effects and from SIDER and drufg...
WT; [ H]spiperone binding studies showed a reduction in total number of binding sites (40%) but not...
(a) Up-regulated ligands and receptors discovered by sc2MeNetDrug on two AD cohorts. Only genes that...
Unwanted side effects of drugs are a burden on pa-tients and a severe impediment in the development ...
The computational determination of binding modes for a ligand into a protein receptor is much more s...
AbstractSystems approaches to studying drug-side-effect (drug-SE) associations are emerging as an ac...
Here, we presented average values of XP-GScores obtained from virtual screening against all gut horm...
GUT-DOCK (Autodock VINA) results for selected beta-blockers (A). T2DM-related ranks were assigned ac...
In vitro secondary pharmacology assays are an important tool for predicting clinical adverse drug re...
A dataset comprising 55 molecules described by seven criteria was used. The criteria are composed of...
Unwanted side effects of drugs are a burden on patients and a severe impediment in the development o...
The term ‘receptorome ’ is now being used to describe receptors, ion channels and transporters in th...
Each bar indicates the t-value calculated using the Welch test. The bars are coloured based on the l...
<p>(A) Boxplot distributions of docking scores for DrugBank molecules docked to each of the nine sit...
Comparative docking studies have been performed on 10 drug molecules, which play a vital role in the...
<p>(a) Drug-target interactions from ChEMBL are combined with side effects and from SIDER and drufg...
WT; [ H]spiperone binding studies showed a reduction in total number of binding sites (40%) but not...
(a) Up-regulated ligands and receptors discovered by sc2MeNetDrug on two AD cohorts. Only genes that...
Unwanted side effects of drugs are a burden on pa-tients and a severe impediment in the development ...
The computational determination of binding modes for a ligand into a protein receptor is much more s...
AbstractSystems approaches to studying drug-side-effect (drug-SE) associations are emerging as an ac...