Log in

Relevant bibliographies by topics / ADME / Journal articles

To see the other types of publications on this topic, follow the link: ADME.

Journal articles on the topic 'ADME'

Author: Grafiati

Published: 4 June 2021

Last updated: 26 July 2025

Create a spot-on reference in APA, MLA, Chicago, Harvard, and other styles

Select a source type:

Consult the top 50 journal articles for your research on the topic 'ADME.'

Next to every source in the list of references, there is an 'Add to bibliography' button. Press on it, and we will generate automatically the bibliographic reference to the chosen work in the citation style you need: APA, MLA, Harvard, Chicago, Vancouver, etc.

You can also download the full text of the academic publication as pdf and read online its abstract whenever available in the metadata.

Browse journal articles on a wide variety of disciplines and organise your bibliography correctly.

1

Azzam, Khaldun AL. "SwissADME and pkCSM Webservers Predictors: an integrated Online Platform for Accurate and Comprehensive Predictions for In Silico ADME/T Properties of Artemisinin and its Derivatives." Kompleksnoe Ispolʹzovanie Mineralʹnogo syrʹâ/Complex Use of Mineral Resources/Mineraldik Shikisattardy Keshendi Paidalanu 325, no. 2 (2022): 14–21. http://dx.doi.org/10.31643/2023/6445.13.

Full text

Abstract:

In vivo ADME testing is costly, time-consuming, and puts animal lives at risk, whereas in silico ADME testing is safer, simpler, and faster. This study will use in silico methodologies from SwissADME and pkCSM as an integrated online platform for accurate and comprehensive predictions to determine In Silico ADME/T Properties of Artemisinin and its Derivatives. The investigated compounds' structures were translated into canonical SMILES format and then submitted to the SwissADME and pkCSM webserver tools, which provide free access to different properties of compounds. A compound's ADME/T charac

APA, Harvard, Vancouver, ISO, and other styles

2

Khare, Soumya, Tanushree Chatterjee, Shailendra Gupta, and Patel Ashish. "Bioavailability predictions, pharmacokinetics and drug-likeness of bioactive compounds from Andrographis paniculata using Swiss ADME." MGM Journal of Medical Sciences 10, no. 4 (2023): 651–59. http://dx.doi.org/10.4103/mgmj.mgmj_245_23.

Full text

Abstract:

Abstract Background: Earlier research on Andrographis paniculata focused on documenting their bioactive compounds profiles and traditional use. Before making a drug-like substance prediction using information from in silico experimental models, the current work aimed to examine and analyze the ADMET properties. This study assessed the drug-likeness and ADMET characteristics of bioactive compounds from A. paniculata. Materials and Methods: The current study will be the first to use the free online tool Swiss ADME to report the ADME characteristics of A. paniculata. The ADME properties of 10 bio

APA, Harvard, Vancouver, ISO, and other styles

3

Alsedfy, M. Yasser, A. A. Ebnalwaled, Mona Moustafa, and Alaa Hassan Said. "Dextran-IONPs ADME study using SWISS ADME – in silico study." International Journal of Research Publication and Reviews 6, no. 1 (2025): 2407–9. https://doi.org/10.55248/gengpi.6.0125.0432.

Full text

APA, Harvard, Vancouver, ISO, and other styles

4

Shea, Michelle, Shari Ommert, Lance Gleich, et al. "ADMET Assays on Tecan's LabCD-ADMET System." JALA: Journal of the Association for Laboratory Automation 8, no. 2 (2003): 74–77. http://dx.doi.org/10.1016/s1535-5535-04-00260-6.

Full text

Abstract:

Screening for ADME/Tox properties of compounds is a key step in the drug development process. Three applications defining such properties, namely Cytochrome P450 Inhibition, Serum Protein Binding and P-glycoprotein Interaction were developed and the performance of each was evaluated on Tecan's LabCD-ADMET System. The LabCD-ADMET System is an automated platform which integrates microfluidics, in the form of the centrifugally driven LabCD device; liquid handling and assay robotics, in the form of a modified GENESIS liquid handling workstation; an incubation, spinner, and detection system, the UL

APA, Harvard, Vancouver, ISO, and other styles

5

Ravi, Kumar K. 1. *. Archana Giri 1. Rama Rao Nadendla 2. "INSILICO ADME PROFILING OF CDK9 INHIBITORS." Journal of Scientific Research in Pharmacy 7, no. 3 (2018): 30–34. https://doi.org/10.5281/zenodo.1207094.

Full text

Abstract:

<strong><em>ABSTRACT</em></strong> <strong><em>S</em></strong><em>everal drug targets have been identified in fighting against cancer. Inhibition of Cell cycle is one of the strategies used in anti-cancer research.   CDKs [Cyclin Dependent Kinases] were found to be one of the promising drug targets. This work aims to find a potential molecule to inhibit CDKs that are involved in cell cycle progression. CDK 9 was chosen as potential drug target for cancer.  Virtual screening was carried out against CDK 9 protein using Molecular Docking tools with molecules from ZINC database. Mol

APA, Harvard, Vancouver, ISO, and other styles

6

Klopman, Gilles, Liliana R. Stefan, and Roustem D. Saiakhov. "ADME evaluation." European Journal of Pharmaceutical Sciences 17, no. 4-5 (2002): 253–63. http://dx.doi.org/10.1016/s0928-0987(02)00219-1.

Full text

APA, Harvard, Vancouver, ISO, and other styles

7

Sun, L. Z., Z. L. Ji, X. Chen, J. F. Wang, and Y. Z. Chen. "ADME-AP: a database of ADME associated proteins." Bioinformatics 18, no. 12 (2002): 1699–700. http://dx.doi.org/10.1093/bioinformatics/18.12.1699.

Full text

APA, Harvard, Vancouver, ISO, and other styles

8

Jyoti V. Mali, Jyoti V. Mali, Pratibha R. Adnaik Pratibha R. Adnaik, and Rahul S. Adnaik Rahul S. Adnaik. "Computational ADME Modeling of Selected Terpenoids Using Swiss ADME." International Journal of Pharmaceutical Research and Applications 10, no. 3 (2025): 1704–16. https://doi.org/10.35629/4494-100317041716.

Full text

Abstract:

Terpenoids, a large and diverse class of naturally occurring organic compounds, have shown significant therapeutic potential, including antimicrobial, anticancer, and anti-inflammatory properties. However, the pharmacokinetic behavior of terpenoids, particularly their absorption, distribution, metabolism, and excretion (ADME) profiles, remains a critical factor in their drug development process. Computational ADME modeling has emerged as a powerful tool for earlystage screening of bioactive compounds, enabling the efficient prediction of pharmacokinetic properties and drug-likeness. This revie

APA, Harvard, Vancouver, ISO, and other styles

9

Chasseaud, L. F. "Accelerating ADME studies." Human & Experimental Toxicology 14, no. 12 (1995): 991–92. http://dx.doi.org/10.1177/096032719501401207.

Full text

Abstract:

A novel method is described for quantitative whole- body autoradioluminography using [14C]-radioactive standards prepared from rat red blood cells. MicroComputer Imaging Device model 2 (MCID) and ImageQuant (IQ) imaging systems were evaluat ed for imaging performance and autoradioluminog raphy quantitation. Weighted linear regression analysis resulted in linearity over five orders of magnitude with a lower limit of quantitation of 2.7 nCi g-1. Using IQ, 16 days were necessary for image analysis and data processing of 30 whole-body cryosections and 1080 standards. MCID reduced the image and dat

APA, Harvard, Vancouver, ISO, and other styles

10

Tarcsa, Edit. "ADME of biologics." Drug Metabolism and Pharmacokinetics 32, no. 1 (2017): S1. http://dx.doi.org/10.1016/j.dmpk.2016.10.005.

Full text

APA, Harvard, Vancouver, ISO, and other styles

11

Fostel, Jennifer. "Predictive ADME-Tox." Expert Opinion on Drug Metabolism & Toxicology 1, no. 3 (2005): 565–70. http://dx.doi.org/10.1517/17425255.1.3.565.

Full text

APA, Harvard, Vancouver, ISO, and other styles

12

Hansch, Corwin, Albert Leo, Suresh Babu Mekapati, and Alka Kurup. "QSAR and ADME." Bioorganic & Medicinal Chemistry 12, no. 12 (2004): 3391–400. http://dx.doi.org/10.1016/j.bmc.2003.11.037.

Full text

APA, Harvard, Vancouver, ISO, and other styles

13

Deb, Subrata, Robert Hopefl, Anthony Allen Reeves, and Dena Cvetkovic. "ADME Gene-Related Pharmacogenomic Labeling of FDA-Approved Drugs: Comparison with Clinical Pharmacogenetics Implementation Consortium (CPIC) Evidence Levels." Medicines 11, no. 3 (2024): 6. http://dx.doi.org/10.3390/medicines11030006.

Full text

Abstract:

Pharmacogenomics (PGx) can facilitate the transition to patient-specific drug regimens and thus improve their efficacy and reduce toxicity. The aim of this study was to evaluate the overlap of PGx classification for drug absorption, distribution, metabolism, and elimination (ADME)-related genes in the U.S. Food and Drug Administration (FDA) PGx labeling and in the Clinical Pharmacogenetics Implementation Consortium (CPIC) database. FDA-approved drugs and PGx labeling for ADME genes were identified in the CPIC database. Drugs were filtered by their association with ADME (pharmacokinetics)-relat

APA, Harvard, Vancouver, ISO, and other styles

14

Sengupta, Sounok, Ratul Bhowmik, Satarupa Acharjee, and Suchandra Sen. "http://www.biotech-asia.org/vol18no2/in-silico-modelling-of-1-3-3-substituted-phenyl-prop-2-enoyl-phenyl-thiourea-against-anti-inflammatory-drug-targets/." Biosciences Biotechnology Research Asia 18, no. 2 (2021): 413–21. http://dx.doi.org/10.13005/bbra/2928.

Full text

Abstract:

The main objective of this present study was to analyze the anti-inflammatory activity of the compound 1- 3- [3-(substituted phenyl) prop-2-enoyl) phenyl thiourea against inflammation receptors Secretory Phospholipase A2 (sPLA2-X), Cyclooxygenase-2 (COX-2), Interleukin-1 Receptor-associated Kinase 4 (IRAK4), Tumor Necrosis Factor (TNF-alpha) and Inducible Nitric Oxide Synthase 4 using various in-silico techniques. The 3D structures of the receptors were retrieved from Protein Data Bank in PDB format. The ligand molecule was sketched in Chemdraw Ultra v 10.0. The proteins and the ligand molecul

APA, Harvard, Vancouver, ISO, and other styles

15

Komura, Hiroshi, Reiko Watanabe, and Kenji Mizuguchi. "The Trends and Future Prospective of In Silico Models from the Viewpoint of ADME Evaluation in Drug Discovery." Pharmaceutics 15, no. 11 (2023): 2619. http://dx.doi.org/10.3390/pharmaceutics15112619.

Full text

Abstract:

Drug discovery and development are aimed at identifying new chemical molecular entities (NCEs) with desirable pharmacokinetic profiles for high therapeutic efficacy. The plasma concentrations of NCEs are a biomarker of their efficacy and are governed by pharmacokinetic processes such as absorption, distribution, metabolism, and excretion (ADME). Poor ADME properties of NCEs are a major cause of attrition in drug development. ADME screening is used to identify and optimize lead compounds in the drug discovery process. Computational models predicting ADME properties have been developed with evol

APA, Harvard, Vancouver, ISO, and other styles

16

Katole, Ravindra Madhukar, Mukesh Kumar Sharma, and Chetan Kumar Joshi. "PREDICTION OF BIOLOGICAL ACTIVITIES OF A. SQUAMOSA BIOACTIVE COMPOUNDS BY-SILICO DESIGN." Journal of Advanced Scientific Research 12, no. 03 (2021): 119–23. http://dx.doi.org/10.55218/jasr.202112316.

Full text

Abstract:

Annona squamosa L. belongs to the Annonaceae family and is one of the basic dietary plants with edible fruits and is called "custard apple. The aim of our study was to carry out to PASS Predication investigate potential Prediction of Activity Spectra for phytoconstituents from Alpinia calcarata namely Acetogenins, Isoquinoline, Quercetin 3 Oglucoside, phenanthrene and Anoreticuin towards many deasease. Server based in silico pass prediction of the compounds was performed. Selected phytochemicals were also analyzed for ADME/T properties using the ADMET protocol. Among a wide range of predicting

APA, Harvard, Vancouver, ISO, and other styles

17

Bououden, Walid, and Yacine Benguerba. "Designing, Cytotoxic Evaluation, Molecular Docking and in Silico Pharmacokinetic Prediction of New Hydrocortisone Derivatives as Anti-Asthmatics Drugs." Journal of Drug Delivery and Therapeutics 10, no. 4 (2020): 8–16. http://dx.doi.org/10.22270/jddt.v10i4.4128.

Full text

Abstract:

A series of new 20 corticosteroids were subjected to molecular property prediction. The Molecular, Physicochemical, and Biological properties were determined using Molinspiration Cheminformatics software. These compounds were further subjected to Toxicity Predictions using the Osiris Software. The calculated drug-related properties of the designed molecules were similar to those found in most marketed drugs. Amongst the proposed molecules, fourteen promising candidates can be considered as promising structures for the synthesis of new and more effective anti-asthmatic drugs. Result indicates t

APA, Harvard, Vancouver, ISO, and other styles

18

Murugan, M., R. V. Kalaimathi, K. Krishnaveni, et al. "ADMETox-informatics of Plant Derived Octadecanoic Acid (Stearic Acid) from Ethyl Acetate Fraction of Moringa oleifera Leaf Extract as a Natural Lead for Next Generation Drug Design, Development and Therapeutics." Journal of Drug Delivery and Therapeutics 12, no. 6 (2022): 129–41. http://dx.doi.org/10.22270/jddt.v12i6.5677.

Full text

Abstract:

In-silico Computer-Aided Drug Design (CADD) significantly relies on cybernetic screening of Plant Based Natural Products (PBNPs) as a prime source of bioactive compounds/ drug leads due to their unique chemical structural scaffolds and distinct functional characteristic features amenable to drug design and development. In the Post-COVID-Era a large number of publications have focused on PBNPs. Moreover, PBNPs still remain as an ideal source of novel therapeutic agents of GRAS standard. However, a well-structured, in-depth ADME/Tox profile with deeper dimensions of PBNPs has been lacking for ma

APA, Harvard, Vancouver, ISO, and other styles

19

Landberg, Rikard, Claudine Manach, Frederiek-Maarten Kerckhof, et al. "Future prospects for dissecting inter-individual variability in the absorption, distribution and elimination of plant bioactives of relevance for cardiometabolic endpoints." European Journal of Nutrition 58, S2 (2019): 21–36. http://dx.doi.org/10.1007/s00394-019-02095-1.

Full text

Abstract:

Abstract Purpose The health-promoting potential of food-derived plant bioactive compounds is evident but not always consistent across studies. Large inter-individual variability may originate from differences in digestion, absorption, distribution, metabolism and excretion (ADME). ADME can be modulated by age, sex, dietary habits, microbiome composition, genetic variation, drug exposure and many other factors. Within the recent COST Action POSITIVe, large-scale literature surveys were undertaken to identify the reasons and extent of inter-individual variability in ADME of selected plant bioact

APA, Harvard, Vancouver, ISO, and other styles

20

Bang, Dongmin, Juyeon Kim, Haerin Song, and Sun Kim. "ADME-drug-likeness: enriching molecular foundation models via pharmacokinetics-guided multi-task learning for drug-likeness prediction." Bioinformatics 41, Supplement_1 (2025): i352—i361. https://doi.org/10.1093/bioinformatics/btaf259.

Full text

Abstract:

Abstract Summary Recent breakthroughs in AI-driven generative models enable the rapid design of extensive molecular libraries, creating an urgent need for fast and accurate drug-likeness evaluation. Traditional approaches, however, rely heavily on structural descriptors and overlook pharmacokinetic (PK) factors such as absorption, distribution, metabolism, and excretion (ADME). Furthermore, existing deep-learning models neglect the complex interdependencies among ADME tasks, which play a pivotal role in determining clinical viability. We introduce ADME-DL (drug likeness), a novel two-step pipe

APA, Harvard, Vancouver, ISO, and other styles

21

Chelamalla, Raadhika, and Ajitha Makula. "Virtual Screening and ADMET Studies to Identify KSP Inhibitors as Anticancer Therapeutics." International Journal of Advances in Pharmaceutical Sciences 9, no. 1 (2017): 1. http://dx.doi.org/10.5138/09761055.2069.

Full text

Abstract:

<p>Virtual Screening plays an important role to achieve binding affinity, receptor and library pre-processing, docking, scoring and top scoring hits. Optimization of drug ADME parameters continues to play an important role to ensure that the exposure is sufficient to achieve proof of concept, and ultimately efficacy, safely in clinical trials to address unmet medical need.<strong> </strong>In order to identify potential inhibitors we employed various computational approaches. In this work, we computationally screened and analyzed 60 analogs and further tested their ADME/T pro

APA, Harvard, Vancouver, ISO, and other styles

22

Guner, Osman, and J. Bowen. "Pharmacophore Modeling for ADME." Current Topics in Medicinal Chemistry 13, no. 11 (2013): 1327–42. http://dx.doi.org/10.2174/15680266113139990037.

Full text

APA, Harvard, Vancouver, ISO, and other styles

23

Greener, Mark. "Fascinating pharmacokinetics: understanding ADME." Nurse Prescribing 7, no. 2 (2009): 71–75. http://dx.doi.org/10.12968/npre.2009.7.2.39404.

Full text

APA, Harvard, Vancouver, ISO, and other styles

24

Hu, Dong Gui, Peter I. Mackenzie, Pramod C. Nair, Ross A. McKinnon, and Robyn Meech. "The Expression Profiles of ADME Genes in Human Cancers and Their Associations with Clinical Outcomes." Cancers 12, no. 11 (2020): 3369. http://dx.doi.org/10.3390/cancers12113369.

Full text

Abstract:

ADME genes are a group of genes that are involved in drug absorption, distribution, metabolism, and excretion (ADME). The expression profiles of ADME genes within tumours is proposed to impact on cancer patient survival; however, this has not been systematically examined. In this study, our comprehensive analyses of pan-cancer datasets from the Cancer Genome Atlas (TCGA) revealed differential intratumoral expression profiles for ADME genes in 21 different cancer types. Most genes also showed high interindividual variability within cancer-specific patient cohorts. Using Kaplan-Meier plots and l

APA, Harvard, Vancouver, ISO, and other styles

25

Asghar, Saira, and Rabia Iqtadar. "IN SILICO PHARMACOKINETIC PROFILING OF TRYPTAMINE DERIVATIVES BY SWISSADME AND ADMETSAR." Hamdard Journal of Pharmacy 2, no. 2 (2022): 34–40. http://dx.doi.org/10.61744/hjp.v2i2.54.

Full text

Abstract:

Profiling of different pharmacokinetic parameters like the absorption, distribution, metabolism, and elimination known as ADME properties of drug molecules during initial phase of drug development might be beneficial in selection of molecules with less adverse ADME characteristics. ADME screening by in vivo testing is very time consuming, costly, and includes the animals. On the other hand, in silico ADME investigation is cheaper, better and offers correct results rapidly. In the current research study, the in-silico methods, namely SwissADME and admetSAR were used for brief and complete ADME

APA, Harvard, Vancouver, ISO, and other styles

26

van de Waterbeemd, H., and M. de Groot. "Can the Internet help to meet the challenges in ADME and e-ADME?" SAR and QSAR in Environmental Research 13, no. 3-4 (2002): 391–401. http://dx.doi.org/10.1080/10629360290014269.

Full text

APA, Harvard, Vancouver, ISO, and other styles

27

Waiblinger, S., and C. Menke. "Influence of Sample Size and Experimenter on Reliability of Measures of Avoidance Distance in Dairy Cows." Animal Welfare 12, no. 4 (2003): 585–89. http://dx.doi.org/10.1017/s0962728600026221.

Full text

Abstract:

AbstractIn the present study we evaluated the influence of different sample sizes and different experimenters on the reliability of measures of avoidance distance (AD) at farm level. On 29 dairy farms the AD of 55-100% of the cows was assessed by two different experimenters (E1 and E2). For both experimenters the herd median of AD (ADME) and the percentage of animals that could be touched (Touch%) were calculated. The reliability between experimenters was assessed by Spearman rank correlation coefficients. To assess the influence of sample size on reliability of AD, the tested animals were ran

APA, Harvard, Vancouver, ISO, and other styles

28

ND, Nizamuddin, Roopa D, Pramodini Alla, Afshin Shams Shaik, Vamshi Kumar Achari P, and Sudhakar Reddy Kapu. "In – Silico Biological Evaluation of Anticancer Drugs - SWISS ADME." Future Journal of Pharmaceuticals and Health Sciences 4, no. 2 (2024): 39–55. http://dx.doi.org/10.26452/fjphs.v4i2.604.

Full text

Abstract:

The aim of the present work is to prepare anti-cancer drugs through In – Silico Biological Evaluation using SWISS ADME. The new Swiss ADME web tool, which includes in-house expert methods like the BOILED-Egg, Ilogp, and Bioavailability Radar, provides free access to a pool of quick yet reliable predictive models for physicochemical properties, pharmacokinetics, drug-likeness, and medicinal chemistry friendliness. It is developed to predict various pharmacodynamics and pharmacokinetics properties of small molecules, helping researchers in the drug discovery and development process. Researchers

APA, Harvard, Vancouver, ISO, and other styles

29

Liu, Ke, Xiangyan Sun, Lei Jia, et al. "Chemi-Net: A Molecular Graph Convolutional Network for Accurate Drug Property Prediction." International Journal of Molecular Sciences 20, no. 14 (2019): 3389. http://dx.doi.org/10.3390/ijms20143389.

Full text

Abstract:

Absorption, distribution, metabolism, and excretion (ADME) studies are critical for drug discovery. Conventionally, these tasks, together with other chemical property predictions, rely on domain-specific feature descriptors, or fingerprints. Following the recent success of neural networks, we developed Chemi-Net, a completely data-driven, domain knowledge-free, deep learning method for ADME property prediction. To compare the relative performance of Chemi-Net with Cubist, one of the popular machine learning programs used by Amgen, a large-scale ADME property prediction study was performed on-s

APA, Harvard, Vancouver, ISO, and other styles

30

A., Nazrin Fathima* A. Sumathy S. Greeshma N. L. Gowrishankar. "Insilico Screening Of Novel Pyrimidinones As Potential Her2 Inhibitors Targeting Breast Cancer." International Journal in Pharmaceutical Sciences 2, no. 10 (2024): 344–49. https://doi.org/10.5281/zenodo.13895931.

Full text

Abstract:

The molecular docking and ADME screening of newer 4-[4-(dimethylamino)phenyl]-6-phenylpyrimidin-2(5H)-ones derivatives were carried out. One of the major subtypes of breast cancer has overexpression of HER2. So here, all the compounds are screened for HER2 inhibitor activity. The ADME studies are performed on the SWISSADME webserver. The docking studies are performed in Autodock Vina integrated PyRx. Results depict that all derivatives binding affinity is greater than standard trastuzumab at the active site of HER2 and have significant ADME properties.

APA, Harvard, Vancouver, ISO, and other styles

31

Rick Mullin. "Mercachem buys ADME firm Admescope." C&EN Global Enterprise 98, no. 44 (2020): 17. http://dx.doi.org/10.1021/cen-09844-buscon13.

Full text

APA, Harvard, Vancouver, ISO, and other styles

32

Erickson, Hans K., and John M. Lambert. "ADME of Antibody–Maytansinoid Conjugates." AAPS Journal 14, no. 4 (2012): 799–805. http://dx.doi.org/10.1208/s12248-012-9386-x.

Full text

APA, Harvard, Vancouver, ISO, and other styles

33

Russe, John. "Tracking Predictive ADME/Tox Advances." Genetic Engineering & Biotechnology News 31, no. 6 (2011): 14–17. http://dx.doi.org/10.1089/gen.31.6.07.

Full text

APA, Harvard, Vancouver, ISO, and other styles

34

Pai, Amy Barton. "It is all About “ADME”." Advances in Chronic Kidney Disease 23, no. 2 (2016): 61–62. http://dx.doi.org/10.1053/j.ackd.2016.02.001.

Full text

APA, Harvard, Vancouver, ISO, and other styles

35

Fisel, P., E. Schaeffeler, and M. Schwab. "DNA Methylation of ADME Genes." Clinical Pharmacology & Therapeutics 99, no. 5 (2016): 512–27. http://dx.doi.org/10.1002/cpt.343.

Full text

APA, Harvard, Vancouver, ISO, and other styles

36

Hou, Tingjun, and Xiaojie Xu. "ADME evaluation in drug discovery." Journal of Molecular Modeling 8, no. 12 (2002): 337–49. http://dx.doi.org/10.1007/s00894-002-0101-1.

Full text

APA, Harvard, Vancouver, ISO, and other styles

37

Cruciani, Gabriele, Francesca Milletti, Loriano Storchi, Gianluca Sforna, and Laura Goracci. "In silicopKaPrediction and ADME Profiling." Chemistry & Biodiversity 6, no. 11 (2009): 1812–21. http://dx.doi.org/10.1002/cbdv.200900153.

Full text

APA, Harvard, Vancouver, ISO, and other styles

38

Scotti, Luciana, and Marcus Tullius Scotti. "ADME Properties in Drug Delivery." Pharmaceutics 17, no. 5 (2025): 617. https://doi.org/10.3390/pharmaceutics17050617.

Full text

APA, Harvard, Vancouver, ISO, and other styles

39

Mishra, Shweta, and Rashmi Dahima. "IN VITRO ADME STUDIES OF TUG-891, A GPR-120 INHIBITOR USING SWISS ADME PREDICTOR." Journal of Drug Delivery and Therapeutics 9, no. 2-s (2019): 366–69. http://dx.doi.org/10.22270/jddt.v9i2-s.2710.

Full text

Abstract:

Predicting the absorption, distribution, metabolism and elimination (ADME) profile of drug candidates before their synthesis, in the early stage of drug discovery, could help in selecting candidates with the less critical ADME profile. In vivo ADME assessment is found to be costly, time consuming and involve the lives of animals, so the in vitro ADME analysis is better, cheaper and provides accurate results quickly. TUG-891 is a GPR-120 inhibitor under clinical trials. The aim of the present study is to predict the in vitro ADME studies of TUG-891, to know the expected outcome of the clinical

APA, Harvard, Vancouver, ISO, and other styles

40

ND, Nizamuddin. "In – Silico Biological Evaluation of Anticancer Drugs - SWISS ADME." In – Silico Biological Evaluation of Anticancer Drugs - SWISS ADME 4, no. 2 (2024): 39–55. https://doi.org/10.5281/zenodo.14651647.

Full text

Abstract:

The aim of the present work is to prepare anti-cancer drugs through <em>In – Silico</em> Biological Evaluation using SWISS ADME. The new Swiss ADME web tool, which includes in-house expert methods like the BOILED-Egg, Ilogp, and Bioavailability Radar, provides free access to a pool of quick yet reliable predictive models for physicochemical properties, pharmacokinetics, drug-likeness, and medicinal chemistry friendliness. It is developed to predict various pharmacodynamics and pharmacokinetics properties of small molecules, helping researchers in the drug discovery and development p

APA, Harvard, Vancouver, ISO, and other styles

41

Sharma, Aastha, Nitish Banga, Rakesh Kumar Marwaha, and Balasubramanian Narasimhan. "Identification of novel potential benzimidazole derivatives by pharmacophore generation, 3D-QSAR, virtual screening, molecular docking and ADME/ TOX analysis against breast cancer as targeted estrogen alpha receptor." Journal of Applied Pharmaceutical Research 13, no. 2 (2025): 149–63. https://doi.org/10.69857/joapr.v13i2.951.

Full text

Abstract:

Background: The estrogen alpha receptor (ERα) is critical in breast carcinogenesis. Although selective estrogen receptor modulators like tamoxifen are clinically used, their adverse effects highlight the need for safer alternatives. The study uses computational methods to identify potential ERα inhibitors within a benzimidazole scaffold. Methodology: This study employed computational approaches, including pharmacophore generation, 3D-QSAR, virtual screening, molecular docking, and in silico ADME/Tox analysis. The best pharmacophore model (DDRRR_1) identified two hydrogen donors and three aroma

APA, Harvard, Vancouver, ISO, and other styles

42

Luippold, Andreas H., Thomas Arnhold, Wolfgang Jörg, Beate Krüger, and Roderich D. Süssmuth. "Application of a Rapid and Integrated Analysis System (RIAS) as a High-Throughput Processing Tool for In Vitro ADME Samples by Liquid Chromatography/Tandem Mass Spectrometry." Journal of Biomolecular Screening 16, no. 3 (2011): 370–77. http://dx.doi.org/10.1177/1087057110397358.

Full text

Abstract:

Over the past decade, drug discovery programs have started to address the optimization of key ADME properties already at an early stage of the process. Hence, analytical chemists have been confronted with tremendously rising sample numbers and have had to develop methodologies accelerating quantitative liquid chromatography/tandem mass spectrometry (LC/MS/MS). This article focuses on the application of a generic and fully automated LC/MS/MS, named Rapid and Integrated Analysis System (RIAS), as a high-throughput platform for the rapid quantification of drug-like compounds in various in vitro A

APA, Harvard, Vancouver, ISO, and other styles

43

Amaku, F. J., I. E. Otuokere, K. K. Igwe, and O. V. Ikpeazu. "Design of Potential SARS-CoV-2 Inhibitor." European Journal of Engineering Research and Science 5, no. 9 (2020): 1043–48. http://dx.doi.org/10.24018/ejers.2020.5.9.2058.

Full text

Abstract:

This computational study comprises of pharmacophore-base virtual screening of the ZINC database, molecular docking of predicted ligands (pharmacophore agent) against the target protein, SARS-CoV-2 (PDB ID: 5r7y) and the prediction of ADMET descriptors using Swiss ADME and PROTOX-II online web servers. Meanwhile, remdesivir, ZINC72392503, ZINC72809903, ZINC06560017, ZINC76101700, ZINC88423098 and ZINC91600695 had a docking scores of -2.0 Kcal/mol, -6.7 Kcal/mol, -6.4 Kcal/mol, -6.0 Kcal/mol, -6.0 Kcal/mol, -6.0 Kcal/mol and-6.0 Kcal/mol respectively. Meanwhile, ZINC72392503 was selected as the

APA, Harvard, Vancouver, ISO, and other styles

44

Amaku, F. J., I. E. Otuokere, K. K. Igwe, and O. V. Ikpeazu. "Design of Potential SARS-CoV-2 Inhibitor." European Journal of Engineering and Technology Research 5, no. 9 (2020): 1043–48. http://dx.doi.org/10.24018/ejeng.2020.5.9.2058.

Full text

Abstract:

This computational study comprises of pharmacophore-base virtual screening of the ZINC database, molecular docking of predicted ligands (pharmacophore agent) against the target protein, SARS-CoV-2 (PDB ID: 5r7y) and the prediction of ADMET descriptors using Swiss ADME and PROTOX-II online web servers. Meanwhile, remdesivir, ZINC72392503, ZINC72809903, ZINC06560017, ZINC76101700, ZINC88423098 and ZINC91600695 had a docking scores of -2.0 Kcal/mol, -6.7 Kcal/mol, -6.4 Kcal/mol, -6.0 Kcal/mol, -6.0 Kcal/mol, -6.0 Kcal/mol and-6.0 Kcal/mol respectively. Meanwhile, ZINC72392503 was selected as the

APA, Harvard, Vancouver, ISO, and other styles

45

Humaira Khalil, Basharat Ali, Yasir Shafi, and Nusrat Shafiq. "In Silico Screening of Leguminosae Phytochemicals as Potential Inhibitors of Lung Cancer: A Structure-Based Multi-Targeted Molecular Docking Analysis." FRONTIERS IN CHEMICAL SCIENCES 4, no. 2 (2023): 1–12. http://dx.doi.org/10.52700/fcs.v4i2.71.

Full text

Abstract:

About half of the chemotherapeutic drugs are naturally occurring anticancer compounds which are available in the market to date. In silico virtual screening for new anti-cancer drug discovery is a cost-effective method as compared to traditional drug synthesis. From Leguminosae family 144 phytochemicals which were screened from the Dictionary of Natural Products (DNP) undergo molecular docking in comparison to approved drugs Gemcitabine, osimertinib, and Nintedanib against targeted proteins EGFR, BRAF, and KRAS. Only five phytochemicals are 2-Pyrrolecarboxylate, O-(3, 5-Dihydroxy-4-methoxy ben

APA, Harvard, Vancouver, ISO, and other styles

46

Tsantili-Kakoulidou, Anna. "The Position of ADME Predictions in Multi-Objective QSAR." International Journal of Quantitative Structure-Property Relationships 6, no. 1 (2021): 1–8. http://dx.doi.org/10.4018/ijqspr.2021010101.

Full text

Abstract:

ADME properties and toxicity predictions play an essential role in prioritization and optimization of drug molecules. According to recent statistics, drug efficacy and safety are principal reasons for drug failure. In this perspective, the position of ADME predictions in the evolution of traditional QSAR from the single objective of biological activity to a multi-task concept is discussed. The essential features of ADME and toxicity QSAR models are highlighted. Since such models are applied to prioritize existing or virtual project compounds with already established or predicted target affinit

APA, Harvard, Vancouver, ISO, and other styles

47

Wu, Xiang, Jing Wang, Lory Tan, et al. "In Vitro ADME Profiling Using High-Throughput RapidFire Mass Spectrometry." Journal of Biomolecular Screening 17, no. 6 (2012): 761–72. http://dx.doi.org/10.1177/1087057112441013.

Full text

Abstract:

Early assessment of absorption, distribution, metabolism, and excretion (ADME) properties of drug candidates has become an essential component of modern drug discovery. ADME characterization is important in identifying compounds early that are likely to fail in later clinical development because of suboptimal pharmacokinetic properties or undesirable drug-drug interactions. Proper utilization of ADME results, meanwhile, can prioritize candidates that are more likely to have good pharmacokinetic properties and also minimize potential drug-drug interactions. By integrating a RapidFire system wit

APA, Harvard, Vancouver, ISO, and other styles

48

K., Sony Jacob, and Swastika Ganguly. "A BATTLE AGAINST AIDS: NEW PYRAZOLE KEY TO AN OLDER LOCK-REVERSE TRANSCRIPTASE." International Journal of Pharmacy and Pharmaceutical Sciences 8, no. 11 (2016): 75. http://dx.doi.org/10.22159/ijpps.2016v8i11.12634.

Full text

Abstract:

Objective: The reason for the failure of most of the anti-HIV drugs are their poor pharmacokinetics, the poor risk to benefit ratio and the drug resistance. With the objective of developing newer pyrazole scaffolds for effective treatment of HIV, binding mode analysis of designing ligands with the HIV-1RT protein and prediction of key ADME and toxicity parameters of the compounds was in an area of interest.Methods: In this study, molecular docking studies and ADME-T studies were carried out in designing of some novel pyrazole analogs. The protein (PDB ID: 1RT2) was prepared using the Protein P

APA, Harvard, Vancouver, ISO, and other styles

49

Menestrina, Luca, Raquel Parrondo-Pizarro, Ismael Gómez, Ricard Garcia-Serna, Scott Boyer, and Jordi Mestres. "Refined ADME Profiles for ATC Drug Classes." Pharmaceutics 17, no. 3 (2025): 308. https://doi.org/10.3390/pharmaceutics17030308.

Full text

Abstract:

Background: Modern generative chemistry initiatives aim to produce potent and selective novel synthetically feasible molecules with suitable pharmacokinetic properties. General ranges of physicochemical properties relevant for the absorption, distribution, metabolism, and excretion (ADME) of drugs have been used for decades. However, the therapeutic indication, dosing route, and pharmacodynamic response of the individual drug discovery program may ultimately define a distinct desired property profile. Methods: A methodological pipeline to build and validate machine learning (ML) models on phys

APA, Harvard, Vancouver, ISO, and other styles

50

Kalaimathi, RV, K. Krishnaveni, M. Murugan, et al. "ADMET informatics of Tetradecanoic acid (Myristic Acid) from ethyl acetate fraction of Moringa oleifera leaves." Journal of Drug Delivery and Therapeutics 12, no. 4-S (2022): 101–11. http://dx.doi.org/10.22270/jddt.v12i4-s.5533.

Full text

Abstract:

In-silico Computer-Aided Drug Design (CADD) often comprehends virtual screening (VS) of datasets of natural pharmaco-active compounds for drug discovery protocols. Plant Based Natural Products (PBNPs) still, remains to be a prime source of pharmaco-active compounds due to their unique chemical structural scaffolds and functionalities with distinct chemical characteristic feature from natural source that are much acquiescent to drug metabolism and kinetics. In the Post-COVID-Era number of publications pertaining to PBNPs and publicly accessible plant based natural product databases (PBNPDBs) ha

APA, Harvard, Vancouver, ISO, and other styles

We offer discounts on all premium plans for authors whose works are included in thematic literature selections. Contact us to get a unique promo code!