ARTICLE
|
doi:10.20944/preprints202207.0453.v1
Subject:
Computer Science And Mathematics,
Mathematical And Computational Biology
Keywords:
pharmacophore; pharmacophore modelling; quantitative pharmacophore; QSAR; machine learning; pharmacophore optimization; NeuroDeRisk
Online: 29 July 2022 (08:47:49 CEST)
ARTICLE
|
doi:10.20944/preprints201611.0043.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
chalcone; cytotoxic activity; pharmacophore model
Online: 7 November 2016 (08:30:12 CET)
REVIEW
|
doi:10.20944/preprints202401.1127.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
Isatin; Hybrids; Biological properties; Pharmacophore; Molecular hybridization
Online: 16 January 2024 (02:16:01 CET)
ARTICLE
|
doi:10.20944/preprints202401.1836.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
Malaria; Virtual Screening; Molecular Dynamics Simulation; Pharmacophore; Modelling; Ligand
Online: 25 January 2024 (14:26:11 CET)
REVIEW
|
doi:10.20944/preprints202308.2076.v1
Subject:
Medicine And Pharmacology,
Neuroscience And Neurology
Keywords:
monoterpene; pharmacophore; chemical modification; antiviral; anticancer; anxiolytic; neuroprotective activity
Online: 30 August 2023 (11:04:58 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/preprints202107.0270.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
drug design; falcipain; malaria; peptidomimetics; Plasmodium falciparum; virtual screening; pharmacophore.
Online: 12 July 2021 (14:48:13 CEST)
ARTICLE
|
doi:10.20944/preprints202004.0003.v2
Subject:
Biology And Life Sciences,
Virology
Keywords:
SARS-CoV-2; protease; virtual screening; pharmacophore; inhibitors; natural compounds
Online: 17 April 2020 (11:00:55 CEST)
ARTICLE
|
doi:10.20944/preprints201910.0074.v1
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
Pseudomonas aeruginosa; Quorum sensing; Virtual screening; E-pharmacophore; Drug discovery.
Online: 7 October 2019 (12:33:33 CEST)
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/preprints201706.0022.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
HPPD inhibitors; pharmacophore model; molecule docking; HipHop model; virtual screening; ChemDiv
Online: 5 June 2017 (05:16:39 CEST)
ARTICLE
|
doi:10.20944/preprints202403.1775.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
Hepatitis B virus; Antivirals; Flavonoid; Drug discovery; Pharmacophore; Quantitative structure-activity relationship
Online: 28 March 2024 (13:31:24 CET)
ARTICLE
|
doi:10.20944/preprints202310.0396.v1
Subject:
Biology And Life Sciences,
Life Sciences
Keywords:
Pyrimidine; Homology Modelling; Pharmacophore Mapping; 3D-QSAR; Molecular Docking; ADMET; Drug Design
Online: 9 October 2023 (09:36:05 CEST)
ARTICLE
|
doi:10.20944/preprints202310.0425.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
hepatitis B; antiviral; drug discovery; HBc protein; pharmacophore-based screening; drug repurposing
Online: 8 October 2023 (05:11:37 CEST)
ARTICLE
|
doi:10.20944/preprints201910.0174.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
AQP3 protein; molecular docking; molecular dynamics; MM-GBSA analysis; pharmacophore-based filter
Online: 16 October 2019 (04:37:31 CEST)
ARTICLE
|
doi:10.20944/preprints201807.0427.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
Pharmacophore; 3D-QSAR; virtual screening; D3R selective antagonist; molecular docking; CNS-like
Online: 23 July 2018 (14:09:10 CEST)
ARTICLE
|
doi:10.20944/preprints202407.1116.v1
Subject:
Biology And Life Sciences,
Life Sciences
Keywords:
Hepatitis C virus; MD Simulations; Covalent inhibitor; Drug resistance; Pharmacophore-based virtual screening
Online: 16 July 2024 (04:54:08 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/preprints202312.1662.v1
Subject:
Biology And Life Sciences,
Life Sciences
Keywords:
Salmonella Typhi; LpxC; ,MD simulation; ,pharmacophore modelling; Raetz pathway; lipid A
Online: 22 December 2023 (04:56:03 CET)
ARTICLE
|
doi:10.20944/preprints202403.0457.v1
Subject:
Medicine And Pharmacology,
Veterinary Medicine
Keywords:
Newcastle disease virus; natural compounds; antiviral drugs; NDV; MD simulation; Hemagglutinin Neuraminidase; biological activity; ADMET; pharmacophore; screening
Online: 8 March 2024 (03:56:28 CET)