ARTICLE
|
doi:10.20944/preprints201806.0039.v1
Subject:
Engineering,
Bioengineering
Keywords:
Protein A; Heptapeptide; M13 Phage-Display; ELISA; Fc; purification; docking; molecular dynamics simulations
Online: 4 June 2018 (12:03:52 CEST)
ARTICLE
|
doi:10.20944/preprints201805.0133.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
antioxidant potential; molecular docking; molecular descriptors; binding free energy; free radicals; oxidative stress
Online: 8 May 2018 (15:38:38 CEST)
ARTICLE
|
doi:10.20944/preprints202408.0850.v1
Subject:
Biology And Life Sciences,
Food Science And Technology
Keywords:
Cyclocarya paliurus leaves; Sweet/bitter/bittersweet taste compounds; Nontargeted metabolomics; Electronic Tongue; Molecular docking
Online: 12 August 2024 (23:42:13 CEST)
ARTICLE
|
doi:10.20944/preprints202406.0645.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
β-citronellol; Citrus hystrix DC.; Hepatic stellate cell; Liver fibrosis; Proteomic analysis; Molecular docking
Online: 11 June 2024 (11:44:51 CEST)
ARTICLE
|
doi:10.20944/preprints202405.0380.v1
Subject:
Medicine And Pharmacology,
Pharmacy
Keywords:
thiocarbohydrazones; Schiff base; moleculer docking; urease inhibition; pharmacokinetic properties; drug combinations
Online: 8 May 2024 (02:40:50 CEST)
COMMUNICATION
|
doi:10.20944/preprints202402.0626.v1
Subject:
Public Health And Healthcare,
Other
Keywords:
human epidermal growth factor receptor 2; docking simulations; Autodock Vina; breast cancer
Online: 12 February 2024 (08:53:18 CET)
ARTICLE
|
doi:10.20944/preprints202312.0845.v1
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
oncogene promotor; c-MYC; G-quadruplex; thiazole peptide; molecular docking; molecular dynamics; MM/GBSA
Online: 13 December 2023 (10:55:36 CET)
ARTICLE
|
doi:10.20944/preprints202311.1891.v1
Subject:
Medicine And Pharmacology,
Complementary And Alternative Medicine
Keywords:
Eruca sativa; Skin barrier function; Peroxisome proliferator activated receptor-α ; Anti-inflammation; Docking simulation
Online: 29 November 2023 (12:16:32 CET)
ARTICLE
|
doi:10.20944/preprints202311.0509.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
CFTR; cystic fibrosis; cystic fibrosis transmembrane conductance regulator; docking; molecular dynamics; curcumin; CFTR modulators
Online: 8 November 2023 (04:12:50 CET)
ARTICLE
|
doi:10.20944/preprints202308.1475.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
acetylcholinesterase inhibitory test; molecular docking; blood-brain barrier permeation; memory impairment; AChE inhibition kinetics
Online: 21 August 2023 (13:46:47 CEST)
ARTICLE
|
doi:10.20944/preprints202308.0141.v1
Subject:
Chemistry And Materials Science,
Materials Science And Technology
Keywords:
A549 lung cancer; nanoparticles; cell-penetration, drug affinity, dissociation constants; molecular docking; antibacterial; hydroxychloroquine
Online: 2 August 2023 (04:54:14 CEST)
ARTICLE
|
doi:10.20944/preprints202304.0601.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
FTSJ1; methyltransferase; tRNA; readthrough; stop codon mutation; small molecules; docking; molecular dynamics; MM-GBSA
Online: 20 April 2023 (03:21:07 CEST)
ARTICLE
|
doi:10.20944/preprints202108.0512.v1
Subject:
Medicine And Pharmacology,
Pharmacy
Keywords:
oyster mushroom (Pleurotus sp.); PARP protein; 4UND protein; molecular docking; PyRx; BIOVIA drug discovery
Online: 26 August 2021 (16:15:06 CEST)
ARTICLE
|
doi:10.20944/preprints202107.0564.v1
Subject:
Medicine And Pharmacology,
Immunology And Allergy
Keywords:
Neurological activity; GC-MS; ADMET profile; Molecular Docking; Beta-amyloid precursor protein; Alzheimer’s disease
Online: 26 July 2021 (10:27:40 CEST)
ARTICLE
|
doi:10.20944/preprints202107.0172.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
cell-free membrane protein expression; translation enhancer; translation initiation; ribosome docking site; sequence design.
Online: 7 July 2021 (10:20:44 CEST)
ARTICLE
|
doi:10.20944/preprints202106.0387.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
3-Acetyl indole; Biological Evaluations; Molecular Docking; thioglycollic acid; ethylene diamine and hydrazine hydrate
Online: 15 June 2021 (08:57:00 CEST)
ARTICLE
|
doi:10.20944/preprints202008.0318.v1
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
nicotinic acetylcholine receptors; three-finger toxins; acetylcholine binding protein; protein – protein docking; computational modeling
Online: 14 August 2020 (09:57:35 CEST)
ARTICLE
|
doi:10.20944/preprints202004.0161.v2
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
COVID-19; docking; drug repurposing; natural products; in silico drug design; viral replication inhibition
Online: 1 June 2020 (02:42:54 CEST)
ARTICLE
|
doi:10.20944/preprints201912.0083.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
hydrogenases; hydrogen fuel cells; homology modeling; fes clusters; transmembrane helices; molecular docking; molecular tunnels
Online: 6 December 2019 (11:47:06 CET)
ARTICLE
|
doi:10.20944/preprints202404.1825.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
main protease (Mpro); ivermectin; nirmatrelvir; SARS-CoV-2; molecular docking; molecular dynamics
Online: 28 April 2024 (07:07:33 CEST)
ARTICLE
|
doi:10.20944/preprints202403.1600.v1
Subject:
Biology And Life Sciences,
Life Sciences
Keywords:
Castanea sativa; waste repurposing; polyphenols; UPLC-MS-MS; inflammation; RAW 264.7; molecular modeling; docking simulations
Online: 26 March 2024 (12:53:41 CET)
COMMUNICATION
|
doi:10.20944/preprints202402.0636.v1
Subject:
Public Health And Healthcare,
Public, Environmental And Occupational Health
Keywords:
Hypericin; Neisseria gonorrhoeae; Docking analysis; Autodock Vina
Online: 12 February 2024 (05:35:59 CET)
COMMUNICATION
|
doi:10.20944/preprints202402.0258.v1
Subject:
Medicine And Pharmacology,
Other
Keywords:
human monoamine oxidase B (MAO-B); PkCSM Server; Daidzin; Parkinson's disease; Docking program
Online: 5 February 2024 (10:35:40 CET)
COMMUNICATION
|
doi:10.20944/preprints202402.0241.v1
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
Autodock Vina; Bcr-Abl; Leukemia; pKCSM; Pyrx; Docking analysis
Online: 5 February 2024 (07:32:04 CET)
COMMUNICATION
|
doi:10.20944/preprints202312.1188.v1
Subject:
Medicine And Pharmacology,
Neuroscience And Neurology
Keywords:
Alzheimer's disease; Molecular Docking; Hypericin; BACE1; ABAD (3-hydroxyacyl-CoA dehydrogenase type II
Online: 15 December 2023 (14:59:46 CET)
COMMUNICATION
|
doi:10.20944/preprints202312.0211.v1
Subject:
Public Health And Healthcare,
Primary Health Care
Keywords:
Melanoma; pKCSM; Docking approach; Diosmin; MAGEB1
Online: 5 December 2023 (04:39:27 CET)
ARTICLE
|
doi:10.20944/preprints202311.1727.v3
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
Alendronate; COVID-19; Minodronate; MM-GBSA; Molecular docking; Molecular dynamics; RdRp; SARS-CoV-2; Virtual screening; Zoledronate
Online: 26 February 2024 (13:51:28 CET)
ARTICLE
|
doi:10.20944/preprints202308.0048.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
tetrahydropyrazolopyridine; 5-nitrofuran derivatives; ESKAPE pathogens; antibacterial testing; nitroreductase; flexible docking; strained ligand-protein interactions
Online: 2 August 2023 (04:31:53 CEST)
ARTICLE
|
doi:10.20944/preprints202304.1069.v1
Subject:
Biology And Life Sciences,
Neuroscience And Neurology
Keywords:
dopamine receptor; subtype selectivity; GPCR; in silico; molecular docking; secondary binding pocket; in vitro; HTRF
Online: 27 April 2023 (10:10:51 CEST)
ARTICLE
|
doi:10.20944/preprints202304.0619.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
wound healing; natural compound; excisional mouse model; molecular docking; dynamic molecular; caryophyllene; cytokines; digital histology
Online: 20 April 2023 (07:42:54 CEST)
ARTICLE
|
doi:10.20944/preprints202108.0359.v2
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
1, 2, 4-Triazine; Lanosterol 14a-demethylase (CYP51); Drug Resistance; Molecular Docking; Molecular Dynamic Simulation.
Online: 17 August 2021 (12:27:02 CEST)
BRIEF REPORT
|
doi:10.20944/preprints202005.0084.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
SARS-CoV-2; Vitamin D; Ivermectin; RNA-dependent-RNA polymerase; Spike glycoprotein; Knowledge based docking
Online: 5 May 2020 (15:18:30 CEST)
COMMUNICATION
|
doi:10.20944/preprints202002.0418.v2
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
virtual screening; molecular docking; drug repurposing; drug repositioning; anti-viral drugs; Coronavirus; COVID-19; 2019-nCoV; SARS-CoV-2
Online: 9 March 2020 (02:29:04 CET)
REVIEW
|
doi:10.20944/preprints201912.0131.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
single nucleotide polymorphism; docking; molecular dynamics; in-silico studies; protein dynamics; missense; prediction algorithm; mutation
Online: 10 December 2019 (07:56:43 CET)
ARTICLE
|
doi:10.20944/preprints202409.0120.v1
Subject:
Biology And Life Sciences,
Immunology And Microbiology
Keywords:
HIV-1 reverse transcriptase; Pyrx program; Docking approach; Pro-Tox-II; pkCSM
Online: 3 September 2024 (11:25:25 CEST)
ARTICLE
|
doi:10.20944/preprints202407.0023.v1
Subject:
Biology And Life Sciences,
Immunology And Microbiology
Keywords:
Dengue virus; in-silico designing; B cell epitope; T cell Epitopes; pan-serotype vaccine; molecular docking
Online: 1 July 2024 (09:12:15 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/preprints202310.0708.v1
Subject:
Public Health And Healthcare,
Other
Keywords:
Candida glabrata; fungal drug resistance; reverse transcriptase polymerase chain reaction; fluconazole; molecular docking simulation; multivariate analysis
Online: 11 October 2023 (12:24:15 CEST)
ARTICLE
|
doi:10.20944/preprints202309.0347.v1
Subject:
Medicine And Pharmacology,
Tropical Medicine
Keywords:
Fasciola hepatica; triclabendazole; anthelmintic-resistance; amino acid-substitution; binding-pocket; ligand-protein docking; protein 3D modeling.
Online: 6 September 2023 (10:24:35 CEST)
ARTICLE
|
doi:10.20944/preprints202305.1550.v1
Subject:
Chemistry And Materials Science,
Applied Chemistry
Keywords:
Mycobacterium tuberculosis; mincle; docking; macrophage; cytokine; trehalose dibehenate; trehalose dimycolate; Molegro Studios virtual docker; immune system
Online: 23 May 2023 (03:42:12 CEST)
ARTICLE
|
doi:10.20944/preprints202212.0299.v1
Subject:
Biology And Life Sciences,
Immunology And Microbiology
Keywords:
Leptospirosis; Multi-epitope vaccine; immuno-informatics; T-cell epitope; B-cell epitope; docking; molecular dynamic simulation
Online: 16 December 2022 (08:15:24 CET)
HYPOTHESIS
|
doi:10.20944/preprints202003.0247.v1
Subject:
Medicine And Pharmacology,
Pharmacy
Keywords:
SARS-CoV-2; COVID-19; molecular docking; Chinese medicine; lithospermic acid B; specnuezhenide; neonuezhenide; rutin; neodiosmin
Online: 15 March 2020 (15:11:22 CET)
ARTICLE
|
doi:10.20944/preprints202409.0270.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Human papillomavirus; HPV 16 oncoproteins; Capsaicin; E6 and E7 oncoproteins; Molecular docking; ADMET studies; Molecular dynamic simulations
Online: 5 September 2024 (06:59:08 CEST)
ARTICLE
|
doi:10.20944/preprints202312.1302.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
SLC15 family; SLC15A4; PHT1; solid supported membrane electrophysiology (SSME); functional characterization; substrate selectivity; pH dependence; molecular docking
Online: 18 December 2023 (13:29:59 CET)
REVIEW
|
doi:10.20944/preprints202308.0887.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
Drug Discovery; Drug Repurposing; SARS-CoV-2; COVID; Molecular Docking; QSAR; Molecular Dynamic; Virtual Screening; Drug Design
Online: 11 August 2023 (09:03:55 CEST)
REVIEW
|
doi:10.20944/preprints202304.1239.v1
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
Cervical cancer; Human papillomavirus (HPV); Photodynamic therapy (PDT); Squamous in-traepithelial neoplasia; Bibliometric analysis; Molecular Docking; Fullerene
Online: 30 April 2023 (02:31:30 CEST)
ARTICLE
|
doi:10.20944/preprints202201.0046.v1
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
voltage-gated sodium channels; cardiac sodium channels; SCN5A; veratridine; toxins; molecular docking; Rosetta; electrophysiology; site-directed mutagenesis
Online: 5 January 2022 (18:02:52 CET)
ARTICLE
|
doi:10.20944/preprints202112.0296.v1
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
Plasmodium falciparum dihydroorotate dehydrogenase; fragment-based drug design; 2D-QSAR; DFT calculation; Lead optimization; Induced Fit docking
Online: 20 December 2021 (09:39:42 CET)
ARTICLE
|
doi:10.20944/preprints202104.0475.v1
Subject:
Medicine And Pharmacology,
Immunology And Allergy
Keywords:
drug repurposing; virtual screening; multiscale; multitargeting; polypharmacology; computational biology; drug repositioning; structural bioinformatics; molecular docking; proteomic signature
Online: 19 April 2021 (12:22:05 CEST)
REVIEW
|
doi:10.20944/preprints202102.0529.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
Caver Web; databases; libraries; microbial products; PredictSNPonco; molecular docking; molecular targets; mutations; treatment; virtual screening; web tools
Online: 23 February 2021 (15:59:19 CET)
ARTICLE
|
doi:10.20944/preprints201908.0223.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
LSD1; molecular inhibitors; thieno[3,2-b]pyrrole-5-carboxamide derivatives; Molecular docking; 3D-QSAR; Molecular dynamics simulations
Online: 21 August 2019 (09:54:43 CEST)
ARTICLE
|
doi:10.20944/preprints202409.0006.v1
Subject:
Biology And Life Sciences,
Biology And Biotechnology
Keywords:
Melanoma metastasis; Ulcerative Colitis; Crohn's Disease; Rheumatoid arthritis; Integrated bioinformatics analysis; Virtual screening; Molecular docking; Molecular dynamic simulation
Online: 2 September 2024 (13:12:50 CEST)
ARTICLE
|
doi:10.20944/preprints202408.0829.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
long covid; GPCR; receptor; drugs; chemokine receptors; serotonin receptors; adrenergic receptors; and histamine receptors docking; phytochemical
Online: 12 August 2024 (14:13:00 CEST)
ARTICLE
|
doi:10.20944/preprints202407.0213.v1
Subject:
Biology And Life Sciences,
Agricultural Science And Agronomy
Keywords:
spike glycoprotein; Hemagglutinin esterase; ACE-2; NPR-1; Furin; TMPRRS2; docking; Neu5,9Ac2; Homology modeling; virus/host interaction; BCOV
Online: 2 July 2024 (14:41:25 CEST)
ARTICLE
|
doi:10.20944/preprints202404.2004.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
wasp venom; Parkinson’ s disease; Alzheimer’ s disease; disaggregation effect; antiaggregation effect; docking molecular; dynamics molecular
Online: 1 May 2024 (04:02:02 CEST)
ARTICLE
|
doi:10.20944/preprints202304.0082.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
COVID-19; drug repurposing; methotrexate; EXSCALATE; virtual screening; molecular docking; antiviral activity; SARS-CoV-2; viral entry; nsp13
Online: 6 April 2023 (09:21:51 CEST)
ARTICLE
|
doi:10.20944/preprints201912.0374.v1
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
alpha-fetoprotein; estrogens; selective estrogen receptor modulators; homology-based modeling; molecular docking; protein-ligand interaction; amino acid substitutions
Online: 29 December 2019 (08:08:23 CET)
ARTICLE
|
doi:10.20944/preprints201812.0336.v1
Subject:
Biology And Life Sciences,
Immunology And Microbiology
Keywords:
complement factor H (CFH); molecular docking; molecular dynamics (MD) simulation; computational alanine scanning (CAS); experimental alanine scanning (EAS)
Online: 28 December 2018 (06:55:53 CET)
ARTICLE
|
doi:10.20944/preprints202402.1760.v1
Subject:
Biology And Life Sciences,
Food Science And Technology
Keywords:
straw mushroom; peptides from triple enzymatically hydrolyzed straw mushroom proteins; molecular docking; UPLC-Q-TOF-MS/MS; T1R1/T1R3
Online: 1 March 2024 (08:22:33 CET)
ARTICLE
|
doi:10.20944/preprints202311.1542.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
IL-1R; Interleukin– 1 receptor; Il-1 receptor; Glycyrrhiza glabra; Licorice; Flavonoid; Inflammation; Periodontitis; Molecular docking; In silico
Online: 24 November 2023 (02:39:37 CET)
ARTICLE
|
doi:10.20944/preprints202311.0365.v1
Subject:
Physical Sciences,
Other
Keywords:
ADMET; antimicrobial agents; effects of chain length; molecular docking; regioselective acylation; structure-activity relationship; sugar fatty acid ester (SFAE).
Online: 6 November 2023 (15:08:45 CET)
ARTICLE
|
doi:10.20944/preprints202005.0199.v1
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
SARS-CoV-2; COVID-19; CADD; virtual screening; approved drugs; drug repurposing; essential targets; molecular docking; molecular dynamics simulations
Online: 11 May 2020 (13:14:18 CEST)
ARTICLE
|
doi:10.20944/preprints202004.0390.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
SARS-CoV-2; COVID-19; SARS-CoV; ACE2; spike protein; phosphorylation; O-β-GlcNAcylation; molecular docking; chloroquine; 2-hydroxybenzohydrazine
Online: 22 April 2020 (06:01:00 CEST)
ARTICLE
|
doi:10.20944/preprints201811.0574.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
activity cliff; activity landscape plotter; epigenetics; docking; drug discovery; D-tools; molecular dynamics; Epi-polypharmacology; SmART; structure-activity relationships
Online: 26 November 2018 (07:14:05 CET)
ARTICLE
|
doi:10.20944/preprints202409.0140.v1
Subject:
Biology And Life Sciences,
Immunology And Microbiology
Keywords:
Hypericin; Amentoflavone; Docking analysis; Autodock Vina; Cardiofaciocutaneous
Online: 3 September 2024 (11:32:29 CEST)
ARTICLE
|
doi:10.20944/preprints202408.1765.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
Molecular Docking; HPV-16; TP-53; pRb; APOBEC; Apigenin; Luteolin; Protein-Protein Interac-tion; High-Performance Computing (HPC); Oncoprotein E6
Online: 26 August 2024 (11:33:11 CEST)
ARTICLE
|
doi:10.20944/preprints202408.0987.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
HPV-16, Molecular Docking, Artificial Intelligence, Ethnobotany, Natural Compounds, Antiviral Agents, Luteolin, Apigenin, Pharmacological Screening, Ethnopharmacology, Computer Simula-tions, Laborator
Online: 14 August 2024 (09:07:36 CEST)
REVIEW
|
doi:10.20944/preprints202403.0081.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
Arbidol; Toremifene; Entry Inhibitor; Fusion Inhibitor; Spike-dependent; SARS CoV-2; S2 segment; S2 subunit; Surface Plasmon Resonance; Molecular Docking
Online: 4 March 2024 (09:35:27 CET)
REVIEW
|
doi:10.20944/preprints202311.0852.v1
Subject:
Computer Science And Mathematics,
Artificial Intelligence And Machine Learning
Keywords:
Computer-Aided Drug Design (CADD); Machine Learning and Artificial Intelligence (AI); Drug discovery; Chemoinformatics; Molecular modeling; Molecular Docking; Target identification
Online: 14 November 2023 (16:54:42 CET)
ARTICLE
|
doi:10.20944/preprints201803.0014.v1
Subject:
Engineering,
Automotive Engineering
Keywords:
Spaceborne Sail; Drag Sail; Solar Sail; Space Tug; Docking; Berthing; Debris Mitigation; (Active) Debris Removal; Space Resources (Mining); Stopover Cycler
Online: 1 March 2018 (16:51:32 CET)
ARTICLE
|
doi:10.20944/preprints202408.1865.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
D-carbamoylase; homology modeling; molecular docking; molecular dynamics; N-carbamoyl-D-alanine; N-carbamoyl-D-tryptophan; inclusion bodies; Pseudomonas
Online: 27 August 2024 (03:15:18 CEST)
ARTICLE
|
doi:10.20944/preprints202408.1279.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Network pharmacology; Molecular docking; In vitro experiments; Underlying mechanism; The formula Chong-Lou-Yao-Fang; Traditional Naxi herbal formula; Liver cancer
Online: 20 August 2024 (05:08:51 CEST)
ARTICLE
|
doi:10.20944/preprints202206.0201.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
human coronaviruses; envelope protein; PDZ-binding motif (PBM), homology-based modelling; docking; HADDOCK; protein-protein interaction; PALS1; pathogenesis; SARS-CoV-2
Online: 14 June 2022 (09:52:47 CEST)
ARTICLE
|
doi:10.20944/preprints201608.0198.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
huperzine A-AChE; molecular docking; intermolecular interaction; quantum chemical calculation; charge density distribution; atomic charges; dipole moment; electrostatic potential; toxicity analysis
Online: 23 August 2016 (12:33:27 CEST)
ARTICLE
|
doi:10.20944/preprints202404.1117.v1
Subject:
Biology And Life Sciences,
Parasitology
Keywords:
globospiramine; bisindole alkaloid; Voacanga globosa; Candida albicans; Candida tropicalis; molecular docking; molecular dynamics; antifungal; apoptosis
Online: 17 April 2024 (08:30:56 CEST)
ARTICLE
|
doi:10.20944/preprints202403.0096.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
Clofazimine; Arbidol; Toremifene; Fusion Inhibitor; Spike-dependent; SARS-CoV-2, S2 segment; S2 subunit; Nsp13 helicase; Surface Plasmon Resonance; Molecular Docking; CHARMM
Online: 4 March 2024 (10:43:07 CET)
ARTICLE
|
doi:10.20944/preprints202311.0480.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
Alzheimer's disease (AD); 4-amino-2,3-polymethylenequinolines; butylated hydroxytoluene (BHT); acetylcholinesterase (AChE); butyrylcholinesterase (BChE); antioxidants; ADMET; β-amyloid; molecular docking; quantum-chemical calculations
Online: 7 November 2023 (15:47:06 CET)
ARTICLE
|
doi:10.20944/preprints202102.0589.v1
Subject:
Medicine And Pharmacology,
Immunology And Allergy
Keywords:
serotonin transporter (SERT); thiadiazines; serotonin receptors 3 and 1A (5-HT3 and 5-HT1A); docking energy; binding affinity; binding mechanisms; electrophysiology in vivo
Online: 25 February 2021 (15:23:26 CET)
ARTICLE
|
doi:10.20944/preprints201907.0233.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
transcription factor; protein; DNA; protein-nucleic acid cross-linking; quantitative cross-linking; transplatin; trans-dichlorodiamineplatinum(II); hydrogen-deuterium exchange; FOXO4; molecular modeling; molecular docking
Online: 22 July 2019 (08:03:27 CEST)
ARTICLE
|
doi:10.20944/preprints202409.0626.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
BCoV; spike glycoprotein; Hemagglutinin esterase; ACE-2; NPR-1; Furin; TMPRRS2; docking; Neu5,9Ac2; Homology modeling; virus/host interaction; NGS; expression profile; q-RT-PCR
Online: 9 September 2024 (07:34:26 CEST)
ARTICLE
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doi:10.20944/preprints202405.1511.v1
Subject:
Biology And Life Sciences,
Cell And Developmental Biology
Keywords:
Breast cancer; network pharmacology; text mining; drug therapy; genes; pathway analysis; biological process; protein-protein interaction; degree and betweenness; molecular docking; meristematic cells; anti-mitotic; hepatotoxicity
Online: 23 May 2024 (07:34:57 CEST)
ARTICLE
|
doi:10.20944/preprints202309.1706.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
isoxazolidine derivatives; 1,3-dipolar cycloaddition; α-aryl-N-methyl nitrones; Density Functional Theory (DFT); Electron Localization Function (ELF); CDFT indices; docking; molecular dynamics; EGFR; binding energy
Online: 26 September 2023 (04:37:56 CEST)