ADME/T
THE ADME/T PROFILES OF TB DRUGS – AN IN SILICO ANALYSIS
... analyzing ADME and toxicity profile of the molecules. ADME (Absorption, Distribution, Metabolism and Excretion) properties are a set of physico- chemical and biochemical properties of drug molecules that ...
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ANTIBACTERIAL ACTIVITY OF METHANOL LEAVES EXTRACT OF ANDROGRAPHIS PANICULATA AND PASS PREDICTION FOR ANTIBACTERIAL EFFECT AND ADME/T PROPERTY ANALYSIS OF ITS ISOLATED COMPOUNDS
... properties. ADME properties determine drug- like activity of ligand molecules based on Lipinski’s rule of ...five. ADME/T properties of the compound (DIM) was analyzed using Qikprop ...
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Thrombolytic Activity, Drug Likeness Property and ADME/T Analysis of Isolated Phytochemicals from Ginger (Zingiber officinale) Using In Silico Approaches
... In this experiment, four compounds from Ginger-Isovanillin, Gingerol, Beta sitosterol and 2,6-Dimethyl-2-octene-1,8-diol (Figure 2) were analyzed for their potential interaction with tPA (Figure 3) in a search for best ...
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IN SILICO PASS PREDICTION, MOLECULAR DOCKING AND ADME/T PROPERTY ANALYSIS OF ISOLATED COMPOUNDS FROM TINOSPORA CORDIFOLIA FOR NEW THROMBOLYTIC DRUG DISCOVERY
... The aim of the study to find the mechanism of action of the isolated compounds from Tinospora cordifolia was explored the thrombolytic activity by molecular docking analysis used for five phytoconstituents to be specific ...
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MOLECULAR DOCKING, PASS PREDICTION AND ADME/T ANALYSIS OF SOME SELECTED ISOLATED COMPOUNDS FROM ALPINIA CALCARATA FOR ANALGESIC ACTIVITY
... The present study is based on the in silico molecular docking study of eight constituents isolated from A. calcarata plant namely 1,8-cineol, alpha fenchyl acetate, calcaratarin D, herniarin, methyl cinnamate, quercetin, ...
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MOLECULAR DOCKING AND PASS PREDICTION FOR ANALGESIC ACTIVITY OF SOME ISOLATED COMPOUNDS FROM ACALYPHA INDICA L AND ADME/T PROPERTY ANALYSIS OF THE COMPOUNDS
... the responsible protein (Cyclooxygenase 1 enzyme). In silico PASS prediction of the compounds measured with server. Also ADME/T properties of the phytoconstituents were analyzed using Qikprop 3.2 module. A ...
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THROMBOLYTIC EFFECT OF TREMA ORIENTALIS AND PASS PREDICTION, MOLECULAR DOCKING, ADME/T PROPERTY ANALYSIS OF ITS ISOLATED COMPOUNDS
... The present study aims to investigate the thrombolytic effect of ethanol extract of Tremas orientalis leaves by in vitro clot lysis method and in silico PASS prediction and molecular docking used for eight ...
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In silico molecular docking and ADME/T analysis of plant compounds against IL17A and IL18 targets in gouty arthritis
... Accumulation of urate crystals and subsequent inflammation are the major cause of pathogenesis of gout. Two pro inflammatory cytokines IL17A and IL18 are upregulated in the serum of gout patients and plays a major role ...
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In vitro α-amylase inhibition effect of ethanol extract of Alpinia nigra (Gaertn.) leaves and molecular docking, ADME/T property studies of some of its isolated compounds.
... 1.803±0.032 mg/ml) as compared to Acarbose. A wide range of docking score found during molecular docking by Schrodinger. α-fenchyl acetate, α-pinene, α-terpineol, camphene, camphor showed the docking score -3.938, ...
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IN SILICO MOLECULAR DOCKING STUDIES OF SOME ISOLATED COMPOUNDS FROM NAUCLEA LATIFOLIA FOR Α AMYLASE INHIBITORY ACTIVITY AND ADME/T PROPERTY ANALYSIS OF THE COMPOUNDS
... properties. ADME properties determine drug- like activity of ligand molecules based on Lipinski’s rule of ...five. ADME/T properties of the compound (DIM) was analyzed using Qikprop ...
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Molecular docking and PASS prediction for antinociceptive activity of some isolated compounds from Anisomeles indica (L.) Kuntze. and ADME/T property analysis of the compounds
... In silico biology refers to computational models of biology, is an expression used to mean performed on a computer or via computer simulation. It is used in systems biology. Due to the vast amounts of data that is now ...
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IN SILICO STUDIES OF FOUR ANTHRAQUINONES OF SENNA ALATA L. AS POTENTIAL ANTIFUNGAL COMPOUNDS
... Although S. alata has been validated scientifically to possess antifungal property, there is no information on the possible mechanism by which this plant elicits its antifungal effect. Therefore, the aim of this study ...
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INHIBITION OF MYCOBACTERIAL GLYCOSYLTRANSFERASES WITH PHYTOCOMPOUNDS AN IN SILICO APPROACH
... ADME/T screening and final list of compounds: Considering the comparable CDOCKER energy and interaction energy with low binding energy, six compounds were forwarded for ADMET analysis. The results are ...
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CamMedNP: Building the Cameroonian 3D structural natural products database for virtual screening
... Abbreviations 3D: Three dimensional; ADME/T: Absorption, distribution, metabolism, excretion, and toxicology; CADD: Computer-aided drug design; CamMedNP: Cameroonian Medicinal Plant and [r] ...
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A novel systems pharmacology model for herbal medicine injection: a case using reduning injection
... (2) ADME filter build- ing and screening; (3) systems analysis for the action mechanisms of Reduning; and (4) the experimental veri- ...the ADME prediction in injection, encompassing results of ...
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In silico approach for the discovery of new PPARγ modulators among plant-derived polyphenols
... For ease of understanding, we present the ADMET profiles as ADME values (Tables 3 and 4 show the pre- dicted molecular pharmacokinetic properties of the selected pheno[r] ...
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High-throughput virtual screening with e-pharmacophore and molecular simulations study in the designing of pancreatic lipase inhibitors
... analyze the relevant pharmaceutical properties, including human oral absorption, central nervous system activity, pre- dicted brain/blood partition coefficient (QPlogBB), octanol/ water and water/gas log Ps, log S, ...
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Copy number variation profiling in pharmacogenetics CYP-450 and GST genes in Colombian population
... ADME: Drug absorption, distribution, metabolism and excretion; ADRs: Adverse drug reactions; AIMs: Ancestry informative marker sets; CNVs: Copy number variations; EMA: The European Medic[r] ...
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IN SILICO ADME, BIOACTIVITY AND TOXICITY PREDICTION OF SOME SELECTED ANTI-EPILEPTIC AGENTS
... 4. Zeng QY, Fan TT, Zhu P, He RQ, Bao YX, Zheng RY, Xu HQ. Comparative long-term effectiveness of a monotherapy with five antiepileptic drugs for focal epilepsy in adult patients: a prospective cohort study. PloS one. ...
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SYNTHESIS, CHARACTERISATION, ANTIOXIDANT AND ANTIMICROBIAL ACTIVITY OF ISATIN DERIVATIVES
... The ADME profile (Table 2) of all the synthesized compounds was analyzed to be optimum to show a drug able behavior. All the ligands have satisfied the molecular weight criteria as per Lipinski’s rule. QPP Caco ...
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