ARTICLE
|
doi:10.20944/preprints202308.1856.v1
Subject:
Biology And Life Sciences,
Parasitology
Keywords:
chalcones; anti-leishmanial activity; molecular docking; molecular dynamic
Online: 28 August 2023 (10:27:43 CEST)
ARTICLE
|
doi:10.20944/preprints202304.0220.v1
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
breast cancer; cervical cancer; stem cells; docking; simulation; microRNA
Online: 11 April 2023 (10:14:48 CEST)
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/preprints202307.1457.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
Anti-diabetic; Alpha amylase; Adhatoda vasica; Molecular docking
Online: 21 July 2023 (10:09:28 CEST)
ARTICLE
|
doi:10.20944/preprints202205.0349.v1
Subject:
Biology And Life Sciences,
Anatomy And Physiology
Keywords:
Docking; lead discovery; molecular dynamic simulation; tuberculosis; coupled assay
Online: 25 May 2022 (10:11:26 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)
ARTICLE
|
doi:10.20944/preprints202206.0274.v1
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
Cyclea peltata; Diabetes Mellitus; Docking; Schrodinger; Alpha amylase; Inhibition
Online: 20 June 2022 (14:33:11 CEST)
ARTICLE
|
doi:10.20944/preprints202010.0576.v2
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
Antimalarial; Erythrina fusca; Phaseolin; Molecular docking; Phytochemical analysis
Online: 21 October 2021 (12:08:52 CEST)
ARTICLE
|
doi:10.20944/preprints202011.0206.v1
Subject:
Biology And Life Sciences,
Cell And Developmental Biology
Keywords:
Protein complexes; Docking
Online: 5 November 2020 (10:24:06 CET)
BRIEF REPORT
Subject:
Biology And Life Sciences,
Cell And Developmental Biology
Keywords:
SARS-CoV2; spike; receptor–ligand docking; super infection
Online: 20 March 2020 (08:30:40 CET)
ARTICLE
|
doi:10.20944/preprints202305.1669.v1
Subject:
Biology And Life Sciences,
Plant Sciences
Keywords:
Phytometabolites; ethnobotany; polyphenols; antiviral activity; molecular docking
Online: 24 May 2023 (02:30:24 CEST)
ARTICLE
|
doi:10.20944/preprints202109.0101.v1
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
E6; variants; MAGI-1; molecular dynamic simulation; docking
Online: 6 September 2021 (13:51:17 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/preprints202108.0403.v1
Subject:
Engineering,
Bioengineering
Keywords:
Phytocompounds; Binding energy; ADMET; Molecular docking
Online: 19 August 2021 (12:05:34 CEST)
ARTICLE
|
doi:10.20944/preprints201609.0073.v1
Subject:
Medicine And Pharmacology,
Endocrinology And Metabolism
Keywords:
diabetes mellitus, molecular docking, thin layer chromatography, alpha amylase, ellagic acid
Online: 20 September 2016 (16:13:12 CEST)
COMMUNICATION
|
doi:10.20944/preprints202312.0083.v1
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
PIM1 protein kinase; hypericin; docking analysis; cancer
Online: 1 December 2023 (11:47:15 CET)
ARTICLE
|
doi:10.20944/preprints202308.0232.v1
Subject:
Biology And Life Sciences,
Biology And Biotechnology
Keywords:
Colon Cancer; Apoptosis; BMAP-27; Peptide therapy; Molecular Docking; MD-Simulation
Online: 2 August 2023 (13:22:18 CEST)
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/preprints202305.1174.v2
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
Eurycoma longifolia; quassinoids; cancer cell lines; apoptosis; TNF-α; DHFR; molecular docking; ADMET.
Online: 22 May 2023 (11:02:09 CEST)
ARTICLE
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
azolines synthesis; quorum sensing; Chromobacterium violaceum CV026; molecular docking; molecular dynamics
Online: 6 May 2019 (08:59:08 CEST)
ARTICLE
|
doi:10.20944/preprints202108.0384.v1
Subject:
Biology And Life Sciences,
Plant Sciences
Keywords:
Silybum Marianum; Molecular Docking; Parp Protein; 4UND protein
Online: 18 August 2021 (14:14:01 CEST)
ARTICLE
|
doi:10.20944/preprints202303.0502.v1
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
Tuberculosis; Biscoumarins; Ligand molecules; DprE1; Anti-tuberculosis activity; Molecular docking; MD Simulation; Cytotoxicity
Online: 29 March 2023 (04:21:45 CEST)
ARTICLE
|
doi:10.20944/preprints202112.0276.v1
Subject:
Biology And Life Sciences,
Biology And Biotechnology
Keywords:
Leishmania amazonensis; CADD; ODC; docking; deguelin; protein modeling.
Online: 16 December 2021 (14:59:30 CET)
COMMUNICATION
|
doi:10.20944/preprints202311.0531.v1
Subject:
Public Health And Healthcare,
Public Health And Health Services
Keywords:
Polydatin; HIV; Docking method; Swiss Dock Server
Online: 8 November 2023 (09:58:51 CET)
ARTICLE
|
doi:10.20944/preprints202310.1486.v1
Subject:
Medicine And Pharmacology,
Epidemiology And Infectious Diseases
Keywords:
heparan sulfate; enoxaparin; coronavirus; SARS-CoV-2; ACE2, absorption inhibition; molecular docking
Online: 24 October 2023 (08:12:50 CEST)
ARTICLE
|
doi:10.20944/preprints202007.0558.v2
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
COVID-19; protein protein interactions; virtual screening; docking; molecular dynamics; zinc
Online: 2 September 2020 (09:48:48 CEST)
COMMUNICATION
|
doi:10.20944/preprints202312.0826.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
LAV-BPIFB4; Amentoflavone; Bilobetin; Docking analysis; pKCSM
Online: 12 December 2023 (10:54:43 CET)
ARTICLE
|
doi:10.20944/preprints202303.0082.v1
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
CENPA; cell cycle; pan-cancer; diagnostic; prognostic; glioma; immune; protein-ligand docking
Online: 6 March 2023 (02:38:13 CET)
ARTICLE
|
doi:10.20944/preprints202404.2004.v1
Subject:
Biochemistry And Molecular Biology,
Biology And Life Sciences
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/preprints202003.0333.v1
Subject:
Medicine And Pharmacology,
Pathology And Pathobiology
Keywords:
COVID-19; SARS-CoV-2; molecular docking; flavonoids
Online: 23 March 2020 (04:30:47 CET)
ARTICLE
|
doi:10.20944/preprints202309.0146.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
TRPM8 channel; β–lactams; antagonists; docking; antinociceptive activity
Online: 4 September 2023 (08:34:52 CEST)
ARTICLE
|
doi:10.20944/preprints202208.0439.v1
Subject:
Biology And Life Sciences,
Agricultural Science And Agronomy
Keywords:
acetylcholine binding protein; acetylcholinesterase; green pesticide, molecular docking
Online: 26 August 2022 (03:21:21 CEST)
REVIEW
|
doi:10.20944/preprints202311.0839.v1
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
Oxime and oxime ether moieties; Anticancer activities; Physicochemical properties; SAR and docking studies
Online: 14 November 2023 (11:39:13 CET)
ARTICLE
|
doi:10.20944/preprints201912.0247.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
anthrax; lead compounds; molecular dynamics; docking
Online: 19 December 2019 (07:06:38 CET)
REVIEW
|
doi:10.20944/preprints202012.0708.v1
Subject:
Biology And Life Sciences,
Anatomy And Physiology
Keywords:
Phytochemicals; SARS-CoV-2; S-Protein; Molecular docking; ACE 2
Online: 28 December 2020 (16:51:12 CET)
REVIEW
|
doi:10.20944/preprints201810.0360.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
Molecular Dynamics, CoSolvent Molecular Dynamics, Drug design, Fragment Screening, Docking
Online: 16 October 2018 (12:15:17 CEST)
ARTICLE
|
doi:10.20944/preprints202004.0329.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
SARS-CoV-2; COVID-19; protease; docking; pharmacophore; Zinc15
Online: 19 April 2020 (05:33:03 CEST)
ARTICLE
|
doi:10.20944/preprints202401.2178.v1
Subject:
Medicine And Pharmacology,
Epidemiology And Infectious Diseases
Keywords:
Flouroquinolone resistance; Docking analysis; Antimicrobial resistance; Salmonella typhi; Mutation analysis
Online: 1 February 2024 (02:09:55 CET)
ARTICLE
|
doi:10.20944/preprints202307.2118.v1
Subject:
Biology And Life Sciences,
Biology And Biotechnology
Keywords:
multi-functional properties; U. australis hydrolysate; peptide; molecular docking
Online: 1 August 2023 (03:27:50 CEST)
ARTICLE
|
doi:10.20944/preprints202102.0525.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
HIV-RT; ribonuclease H; dual inhibitors; docking; putative binding
Online: 23 February 2021 (15:51:40 CET)
BRIEF REPORT
|
doi:10.20944/preprints202002.0242.v2
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
COVID-19; molecular docking; HIV protease inhibitor; nucleotide analogues
Online: 29 February 2020 (12:43:40 CET)
ARTICLE
|
doi:10.20944/preprints202105.0348.v1
Subject:
Biology And Life Sciences,
Parasitology
Keywords:
Pistacia atlantica leaves; L. infantum; L. major; promastigote; antileishmanial; Masticadienonic acid, 3-Methoxycarpachromene; molecular docking.
Online: 14 May 2021 (15:36:40 CEST)
ARTICLE
|
doi:10.20944/preprints202304.1055.v1
Subject:
Medicine And Pharmacology,
Urology And Nephrology
Keywords:
Ischemia/reperfusion injury; Molecular docking; Bibliometric analysis; Kidney reperfusion; Kidney transplantation; Renal resection
Online: 27 April 2023 (07:25:20 CEST)
ARTICLE
|
doi:10.20944/preprints202309.2178.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
leucyl-aminopeptidase; Bacillus cereus; expression; homology modeling; molecular docking
Online: 2 October 2023 (11:18:37 CEST)
ARTICLE
|
doi:10.20944/preprints202002.0383.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
Salmonella; antibiotic resistance; immunoinformatic; epitope; molecular docking; molecular dynamics simulation
Online: 26 February 2020 (01:56:41 CET)
ARTICLE
|
doi:10.20944/preprints202306.0038.v1
Subject:
Medicine And Pharmacology,
Pharmacy
Keywords:
Lagenaria siceraria; In silico study; Drug design; Diabetes mellitus; Molecular docking; ADMET
Online: 1 June 2023 (05:41:13 CEST)
COMMUNICATION
|
doi:10.20944/preprints202402.0107.v1
Subject:
Public Health And Healthcare,
Other
Keywords:
cardiovascular research; myeloperoxidase; Astringin; pkCSM; Molecular Docking
Online: 2 February 2024 (04:54:03 CET)
ARTICLE
|
doi:10.20944/preprints202109.0138.v1
Subject:
Medicine And Pharmacology,
Pharmacy
Keywords:
Agaricus Bisporus; Button Mushroom; Molecular docking; PyRx software; BIOVIA Discovery studio
Online: 8 September 2021 (10:14:03 CEST)
COMMUNICATION
|
doi:10.20944/preprints202311.1840.v1
Subject:
Public Health And Healthcare,
Public Health And Health Services
Keywords:
HSP90 protein; HSC70 protein; docking study; hypericin
Online: 29 November 2023 (09:58:27 CET)
ARTICLE
|
doi:10.20944/preprints202304.0063.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
Cx43; gap junctions; conductance; inhibitors; docking; IC50
Online: 5 April 2023 (12:30:58 CEST)
ARTICLE
|
doi:10.20944/preprints202103.0062.v1
Subject:
Medicine And Pharmacology,
Gastroenterology And Hepatology
Keywords:
Xanthohumol; Colon cancer; Molecular docking, DFT, ADMET
Online: 2 March 2021 (09:51:01 CET)
ARTICLE
|
doi:10.20944/preprints201907.0284.v1
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
obesity; herbal medicine; molecular docking; α-amylase
Online: 25 July 2019 (08:12:19 CEST)
ARTICLE
|
doi:10.20944/preprints201710.0143.v1
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
cheminformatics; docking simulation; drug repositioning; thiopurine; tyrosinase
Online: 22 October 2017 (14:03:13 CEST)
ARTICLE
|
doi:10.20944/preprints202006.0358.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
Enzyme inhibition; Secondary Metabolites; In-silico Analysis; Molecular docking; Drug candidates
Online: 30 June 2020 (08:11:28 CEST)
ARTICLE
|
doi:10.20944/preprints202105.0171.v1
Subject:
Medicine And Pharmacology,
Immunology And Allergy
Keywords:
C. dichotoma; Flavonoids; Antidiabetic; alpha-glucosidase, alpha-amylase, Docking; ADMET
Online: 10 May 2021 (11:02:24 CEST)
ARTICLE
|
doi:10.20944/preprints202310.0918.v1
Subject:
Medicine And Pharmacology,
Hematology
Keywords:
drug sensitivity scores; molecular modeling; molecular docking; four-parameter logistic curve
Online: 16 October 2023 (11:38:46 CEST)
ARTICLE
|
doi:10.20944/preprints202206.0144.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
Molecular docking; molecular dynamics; pharmacophore; molecular modeling; XIAP protein; protein inhibitor; anticancer activity
Online: 9 June 2022 (11:08:29 CEST)
ARTICLE
|
doi:10.20944/preprints202003.0277.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
COVID-19; hydrolysable tannins; protease; molecular docking; structural-relationship activity
Online: 17 March 2020 (15:43:48 CET)
ARTICLE
|
doi:10.20944/preprints202304.0254.v1
Subject:
Biology And Life Sciences,
Toxicology
Keywords:
cancer cells; quinones; mTOR; antiproliferative activity; molecular descriptors; molecular docking
Online: 12 April 2023 (07:57:34 CEST)
ARTICLE
|
doi:10.20944/preprints202312.1822.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
Quorum Sensing; Molecular Docking; Phytochemical; Rhamnus Cathartica L; Plant-Based Antimicrobial
Online: 26 December 2023 (01:47:16 CET)
ARTICLE
|
doi:10.20944/preprints202304.0869.v1
Subject:
Chemistry And Materials Science,
Food Chemistry
Keywords:
Curcuma longa; curcumins; PTP1B; anti-diabetes; α-glucosidase; turmeric; molecular docking simulation.
Online: 25 April 2023 (03:08:59 CEST)
ARTICLE
|
doi:10.20944/preprints202404.1825.v1
Subject:
Biochemistry And Molecular Biology,
Biology And Life Sciences
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/preprints202109.0475.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
food bioactive compunds; stokes aster ethanolic extarcts; health effects; antiproliferative activity; Caco2 cells; docking; human tankyrase 1
Online: 28 September 2021 (14:23:04 CEST)
ARTICLE
|
doi:10.20944/preprints202304.0566.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
anticancer agents; microtubules; molecular docking; Plagiochila species; plagiochilin A; α-tubulin.
Online: 19 April 2023 (07:59:13 CEST)
ARTICLE
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Kinase Inhibitor; NEK2; Chemoresistance; Avicennia marina; Marine compounds; Molecular docking; Cancer
Online: 7 June 2020 (11:16:35 CEST)
ARTICLE
|
doi:10.20944/preprints202404.1678.v1
Subject:
Food Science And Technology,
Biology And Life Sciences
Keywords:
Hesperetin; Xanthine oxidase; Inhibition kinetics; Interaction mechanism; Multi-spectroscopy; Molecular docking
Online: 25 April 2024 (16:01:55 CEST)
ARTICLE
|
doi:10.20944/preprints202212.0008.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
COVID-19; molecular docking; ADMET; marine natural products; Chrysophaentin A; Hymenidin
Online: 1 December 2022 (03:51:30 CET)
COMMUNICATION
|
doi:10.20944/preprints202104.0524.v1
Subject:
Chemistry And Materials Science,
Biomaterials
Keywords:
machine learning; Gaussian; nanoparticles; descriptors; docking; simulations; PLGA
Online: 20 April 2021 (09:47:24 CEST)
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)
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/preprints202308.1075.v1
Subject:
Biology And Life Sciences,
Biology And Biotechnology
Keywords:
Nocardiopsis dassonvillei SOD(B)ST2SA2; Antibacterial activity; Molecular docking; Listeria monocytogenes
Online: 15 August 2023 (11:45:23 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/preprints202305.1124.v1
Subject:
Biology And Life Sciences,
Life Sciences
Keywords:
docking; binding free energy; pharmacophore; KPLS; QSAR; alkylhydrazide; histone deacetylases (HDAC)
Online: 16 May 2023 (08:26:45 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/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)
COMMUNICATION
|
doi:10.20944/preprints202401.1639.v1
Subject:
Biology And Life Sciences,
Life Sciences
Keywords:
E. coli; Hypericin; Docking analysis; Mcule Server
Online: 23 January 2024 (06:45:09 CET)
ARTICLE
|
doi:10.20944/preprints202308.0997.v1
Subject:
Medicine And Pharmacology,
Pharmacy
Keywords:
Bigel; Calophyllum inophyllum; Calanolide A; Piscean collagen; Tamanu oil; Molecular Docking; ADMET
Online: 14 August 2023 (08:47:53 CEST)
ARTICLE
|
doi:10.20944/preprints202310.0991.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
Mori Folium; Eucommiae Cortex; immunosuppression; network pharmacology; molecular docking; molecular dynamics simulations
Online: 17 October 2023 (05:46:14 CEST)
ARTICLE
|
doi:10.20944/preprints202306.1793.v1
Subject:
Computer Science And Mathematics,
Artificial Intelligence And Machine Learning
Keywords:
bioactive compounds; black sea cucumbers; cancer; drug-target interactions; machine learning; molecular docking
Online: 26 June 2023 (10:36:43 CEST)
ARTICLE
|
doi:10.20944/preprints202210.0302.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
poxviruses; monkeypox virus; envelope proteins; drug repurposing; bioactive phytochemicals; molecular docking, molecular simulation
Online: 20 October 2022 (09:32:02 CEST)
COMMUNICATION
|
doi:10.20944/preprints202311.1690.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
serine/threonine protein kinase; amentoflavone; molecular docking; apoptosis
Online: 27 November 2023 (09:09:47 CET)
ARTICLE
|
doi:10.20944/preprints202210.0398.v1
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
Perfluorinated derivatives; Nucleophilic Aromatic Substitution; Bioconjugation; IR and 19F-NMR simulations; Molecular Docking
Online: 26 October 2022 (04:01:55 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/preprints201807.0085.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
CagA; phosphatidylserine; phosphatidylserine mutations; conservation N-terminal CagA; homology modeling; molecular docking
Online: 5 July 2018 (08:34:40 CEST)
COMMUNICATION
|
doi:10.20944/preprints202401.1652.v1
Subject:
Biology And Life Sciences,
Neuroscience And Neurology
Keywords:
docking studies; amentoflavone; Parkinson's disease; pyrx program
Online: 23 January 2024 (07:47:32 CET)
COMMUNICATION
|
doi:10.20944/preprints202312.0222.v1
Subject:
Medicine And Pharmacology,
Dietetics And Nutrition
Keywords:
aldose reductase; diabetes mellitus; amentoflavone; docking analysis
Online: 4 December 2023 (14:49:46 CET)
COMMUNICATION
|
doi:10.20944/preprints202311.1039.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
Polydatin; HIV; Docking method; Swiss Dock Server
Online: 16 November 2023 (11:21:25 CET)
ARTICLE
|
doi:10.20944/preprints201902.0064.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
Dopamine receptors, Molecular Docking, Molecular Dynamics, Receptor-Ligand Interactions
Online: 6 February 2019 (13:54:13 CET)
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/preprints202309.1917.v1
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
Mycobacterium; Antibiotic resistance; Drug re-purposing; MbtA; Siderophores; Molecular Docking; Molecular Dynamics; PCA analysis
Online: 28 September 2023 (13:28:39 CEST)
ARTICLE
|
doi:10.20944/preprints202310.0013.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
tumor multidrug resistance; P-glycoprotein; pyxinol amino acid ester derivatives; molecular docking; metabolomics
Online: 1 October 2023 (08:32:50 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)
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/preprints202010.0543.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
HSPA5; GRP78; BiP; HCV E2; protein-protein docking; structural bioinformatics
Online: 27 October 2020 (09:11:13 CET)
HYPOTHESIS
|
doi:10.20944/preprints202002.0254.v2
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
2019-nCoV; novel coronavirus pneumonia; docking; ACE2; viral main protease
Online: 23 February 2020 (02:09:52 CET)
ARTICLE
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
USP14; molecular docking; molecular dynamic simulation; cancer; ubiquitin; drug discovery
Online: 23 December 2019 (12:36:38 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)
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/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)
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)