ARTICLE
|
doi:10.20944/preprints202012.0013.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
Thermolysin; Antibacterial agents; Docking; Molecular dynamics; MM-PBSA, ADME-Tox.
Online: 1 December 2020 (10:48:09 CET)
ARTICLE
|
doi:10.20944/preprints202308.1435.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
astragaloside IV; passive avoidance; memory impairment; ADME-Tox; blood-brain barrier
Online: 21 August 2023 (09:45:45 CEST)
ARTICLE
|
doi:10.20944/preprints202011.0618.v1
Subject:
Medicine And Pharmacology,
Immunology And Allergy
Keywords:
Neprilisin; Docking; Molecular Dynamics Simulation; MM-PBSA; Ligand Efficiency Metrics; ADME-Tox
Online: 24 November 2020 (14:21:22 CET)
ARTICLE
|
doi:10.20944/preprints202308.0864.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
Ocimum sanctum; Swiss ADME; Phytoconstituents
Online: 11 August 2023 (02:59:30 CEST)
ARTICLE
|
doi:10.20944/preprints202010.0430.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
Conjugates compounds; insulin; docking; ADME
Online: 21 October 2020 (10:45:49 CEST)
REVIEW
|
doi:10.20944/preprints202212.0555.v1
Subject:
Biology And Life Sciences,
Immunology And Microbiology
Keywords:
CTCL; biomarker; TOX; PLS3; CADM1; DNM3; CXCL13; PD-1; BCL11B; TMEM244
Online: 29 December 2022 (06:41:22 CET)
ARTICLE
|
doi:10.20944/preprints202312.2025.v1
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
nitrodiene; synthesis; spectral characteristics; DFT reactivity indices; ADME; PASS
Online: 26 December 2023 (16:26:14 CET)
ARTICLE
|
doi:10.20944/preprints202308.1998.v1
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
ADME; drug transport; jejunum; small intestine; differentiation; 2D cell culture
Online: 30 August 2023 (09:49:39 CEST)
ARTICLE
|
doi:10.20944/preprints202305.1103.v1
Subject:
Engineering,
Bioengineering
Keywords:
mutate HIV protease inhibitors; carboxamides; heteroarenes; mammalian cells essay; ADME
Online: 16 May 2023 (05:32:28 CEST)
ARTICLE
|
doi:10.20944/preprints202406.1627.v1
Subject:
Medicine And Pharmacology,
Neuroscience And Neurology
Keywords:
ADME; antioxidative activity; cholinesterase inhibition; docking; genotoxicity; resveratrol; thi-azole; thiophene
Online: 24 June 2024 (12:05:11 CEST)
COMMUNICATION
|
doi:10.20944/preprints202312.0806.v1
Subject:
Public Health And Healthcare,
Public Health And Health Services
Keywords:
HIV-1 reverse transcriptase; pyrx program; docking approach; Pro-Tox-II; pkCSM
Online: 12 December 2023 (05:48:00 CET)
ARTICLE
|
doi:10.20944/preprints202003.0349.v1
Subject:
Biology And Life Sciences,
Biology And Biotechnology
Keywords:
novel coronavirus; COVID-19; protease; molecular docking; drug designing; ADME; drug repurposing
Online: 23 March 2020 (09:47:49 CET)
ARTICLE
|
doi:10.20944/preprints201901.0062.v1
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
small molecule; ligand; receptor; docking; molecular dynamics; DNA repair; inhibition; PCNA; ADME; toxicology
Online: 8 January 2019 (11:10:26 CET)
ARTICLE
|
doi:10.20944/preprints202401.0661.v1
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
Protozoan diseases; Drug repurposing; Cytotoxicity; Dihydrofolate reductase inhibitors; Potassium (K+) channel blocker; ADME properties
Online: 9 January 2024 (10:30:36 CET)
ARTICLE
|
doi:10.20944/preprints202108.0327.v3
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
Melanoma; Core regulatory network; in silico perturbationSystems pharmacology; Boolean model; Small molecule inhibitors; Virtual screening; ADME; E2F1
Online: 12 June 2023 (10:22:29 CEST)
ARTICLE
|
doi:10.20944/preprints202008.0351.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
discodermins A-H; chemical reactivity theory; conceptual DFT; global and local reactivity descriptors; pKa; bioavailability; bioactivity scores; ADME
Online: 17 August 2020 (04:45:58 CEST)
REVIEW
|
doi:10.20944/preprints202308.1518.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
SARS-CoV-2; main protease; inhibitors; molecular modeling; molecular dynamics simulations; binding energy calculation; ADME properties; potential therapeutics; drug discovery
Online: 22 August 2023 (07:19:37 CEST)
REVIEW
|
doi:10.20944/preprints202305.0034.v1
Subject:
Biology And Life Sciences,
Cell And Developmental Biology
Keywords:
organ-on-a-chip; gut-on-a-chip; intestine; in vitro; ex vivo; ADME; oral bioavailability; drug development; microbiome; IBD
Online: 2 May 2023 (01:15:08 CEST)