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iDrug specifications


Unique identifier OMICS_12314
Name iDrug
Interface Web user interface
Restrictions to use None
Programming languages Javascript, Python
Database management system MySQL
Computer skills Basic
Stability No
Maintained No



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iDrug citations


Mental health service utilization is associated with retention in care among persons living with HIV at a university affiliated HIV clinic

PMCID: 5771035
PMID: 29338735
DOI: 10.1186/s12981-018-0188-9

[…] (time of clinic enrollment interview), fpatient health questionnaire-9, galcohol, smoking and substance involvement screening test, halcohol use disorder identification test-consumption test, idrug use excludes marijuana, jmeasured as total count of depression, drug use, and alcohol use, kmeasured within 12 months, lreference category, in multivariable analyses (table ), persons […]


Probing the molecular basis of hERG drug block with unnatural amino acids

Sci Rep
PMCID: 5762913
PMID: 29321549
DOI: 10.1038/s41598-017-18448-x

[…] were applied in increasing concentrations and allowed to reach a steady state before applying the next higher concentration. half-maximal inhibition was estimated by fitting the normalized currents (idrug/icontrol) with a hill equation of the form y = a1 + ((a2 − a1)/1 + 10 (log k a − [l])*h), where ka is the ligand concentration which results in half maximal block, a refers to asymptotic […]


Antidepressant drug paroxetine blocks the open pore of Kv3.1 potassium channel

PMCID: 5746514
PMID: 29302214
DOI: 10.4196/kjpp.2018.22.1.71

[…] a hill coefficient (n) were obtained by fitting concentration dependence data () to the following equation:, i (%)=1/{1+(ic50 /[d])n}(1) , in which i (%) is the percent current inhibition (i (%)=[1−idrug/icontrol]×100) at the test potential and [d] represents various drug concentrations., the current activation curves () were fitted with the boltzmann isotherm equation:, g/gmax=1/{1+exp […]


Inhibition of Inwardly Rectifying Potassium (Kir) 4.1 Channels Facilitates Brain Derived Neurotrophic Factor (BDNF) Expression in Astrocytes

PMCID: 5768989
PMID: 29358904
DOI: 10.3389/fnmol.2017.00408

[…] end of each experiment. the kir channel currents were measured by subtracting the ba2+-resistant currents from the total current. the response to the test drug was estimated as the current ratio (idrug/icontrol) at –110 mv, which was obtained by dividing the current recorded in the presence of the drug with the equivalent current recorded in the absence of the drug., sertraline hydrochloride, […]


Escitalopram, a selective serotonin reuptake inhibitor, inhibits voltage dependent K+ channels in coronary arterial smooth muscle cells

PMCID: 5507780
PMID: 28706455
DOI: 10.4196/kjpp.2017.21.4.415

[…] and the hill coefficient (n) were obtained from concentration-dependent data and fitted to the following hill equation:, f=1/{1+(ic50/[d])n} , where ƒ is the fractional inhibition of current (ƒ=1−idrug/icontrol) at the test potential, and [d] is the drug concentration., a steady-state activation curve was obtained from the tail currents. tail currents were induced by returning to a potential […]


Icariin, a Novel Blocker of Sodium and Calcium Channels, Eliminates Early and Delayed Afterdepolarizations, As Well As Triggered Activity, in Rabbit Cardiomyocytes

Front Physiol
PMCID: 5447092
PMID: 28611679
DOI: 10.3389/fphys.2017.00342

[…] activation) and relative current (i/imax, steady-state inactivation). the dose-response relationship curves for the effects of icariin on inat and ical were fitted to the hill equation, (icontrol−idrug)/idrug = emax/[1 + (ic50/c)n], where icontrol and idrug represent the amplitude of inat and ical obtained in the absence and presence of icariin, respectively, emax is the maximum inhibition, […]

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iDrug institution(s)
Shanghai Key Laboratory of New Drug Design, State Key Laboratory of Bioreactor Engineering, School of Pharmacy, East China University of Science and Technology, Shanghai, China; School of Information Science and Engineering, East China University of Science and Technology, Shanghai, China; BNLMS, Center for Quantitative Biology, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, College of Chemistry and Molecular Engineering, Peking University, Beijing, China
iDrug funding source(s)
The 863 Hi-Tech Program of China (grant 2012AA020308), the National Natural Science Foundation of China (grants 81230090, 81222046 and 81230076), the Shanghai Committee of Science and Technology (grant 12401900801), the National S&T Major Project of China (Grants 2013ZX09507004); Shanghai Rising-Star Tracking Program (grant 13QH1401100); and Fok Ying Tung Education Foundation (141035)

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