Detalles de la búsqueda
1.
PTML modeling for peptide discovery: in silico design of non-hemolytic peptides with antihypertensive activity.
Mol Divers
; 26(5): 2523-2534, 2022 Oct.
Artículo
en Inglés
| MEDLINE | ID: mdl-34802116
2.
BET bromodomain inhibitors: fragment-based in silico design using multi-target QSAR models.
Mol Divers
; 23(3): 555-572, 2019 Aug.
Artículo
en Inglés
| MEDLINE | ID: mdl-30421269
3.
Fragment-based in silico modeling of multi-target inhibitors against breast cancer-related proteins.
Mol Divers
; 21(3): 511-523, 2017 Aug.
Artículo
en Inglés
| MEDLINE | ID: mdl-28194627
4.
First Multitarget Chemo-Bioinformatic Model To Enable the Discovery of Antibacterial Peptides against Multiple Gram-Positive Pathogens.
J Chem Inf Model
; 56(3): 588-98, 2016 Mar 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-26960000
5.
Computational tool for risk assessment of nanomaterials: novel QSTR-perturbation model for simultaneous prediction of ecotoxicity and cytotoxicity of uncoated and coated nanoparticles under multiple experimental conditions.
Environ Sci Technol
; 48(24): 14686-94, 2014 Dec 16.
Artículo
en Inglés
| MEDLINE | ID: mdl-25384130
6.
Chemoinformatics for rational discovery of safe antibacterial drugs: simultaneous predictions of biological activity against streptococci and toxicological profiles in laboratory animals.
Bioorg Med Chem
; 21(10): 2727-32, 2013 May 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-23582445
7.
Optimizing drug discovery using multitasking models for quantitative structure-biological effect relationships: an update of the literature.
Expert Opin Drug Discov
; 18(11): 1231-1243, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-37639708
8.
Rational drug design for anti-cancer chemotherapy: multi-target QSAR models for the in silico discovery of anti-colorectal cancer agents.
Bioorg Med Chem
; 20(15): 4848-55, 2012 Aug 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-22750007
9.
Erratum to: Fragment-based in silico modeling of multi-target inhibitors against breast cancer-related proteins.
Mol Divers
; 21(3): 525, 2017 Aug.
Artículo
en Inglés
| MEDLINE | ID: mdl-28766255
10.
In silico design of multi-target inhibitors for C-C chemokine receptors using substructural descriptors.
Mol Divers
; 16(1): 183-91, 2012 Feb.
Artículo
en Inglés
| MEDLINE | ID: mdl-22020812
11.
Predicting multiple ecotoxicological profiles in agrochemical fungicides: a multi-species chemoinformatic approach.
Ecotoxicol Environ Saf
; 80: 308-13, 2012 Jun.
Artículo
en Inglés
| MEDLINE | ID: mdl-22521812
12.
PTML Modeling for Pancreatic Cancer Research: In Silico Design of Simultaneous Multi-Protein and Multi-Cell Inhibitors.
Biomedicines
; 10(2)2022 Feb 18.
Artículo
en Inglés
| MEDLINE | ID: mdl-35203699
13.
Multi-Condition QSAR Model for the Virtual Design of Chemicals with Dual Pan-Antiviral and Anti-Cytokine Storm Profiles.
ACS Omega
; 7(36): 32119-32130, 2022 Sep 13.
Artículo
en Inglés
| MEDLINE | ID: mdl-36120024
14.
Multi-target drug discovery in anti-cancer therapy: fragment-based approach toward the design of potent and versatile anti-prostate cancer agents.
Bioorg Med Chem
; 19(21): 6239-44, 2011 Nov 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-21967806
15.
QSAR model toward the rational design of new agrochemical fungicides with a defined resistance risk using substructural descriptors.
Mol Divers
; 15(4): 901-9, 2011 Nov.
Artículo
en Inglés
| MEDLINE | ID: mdl-21633788
16.
Multi-target Drug Discovery via PTML Modeling: Applications to the Design of Virtual Dual Inhibitors of CDK4 and HER2.
Curr Top Med Chem
; 21(7): 661-675, 2021.
Artículo
en Inglés
| MEDLINE | ID: mdl-33463472
17.
Indirect-Acting Pan-Antivirals vs. Respiratory Viruses: A Fresh Perspective on Computational Multi-Target Drug Discovery.
Curr Top Med Chem
; 21(30): 2687-2693, 2021.
Artículo
en Inglés
| MEDLINE | ID: mdl-34636311
18.
In Silico Drug Repurposing for Anti-Inflammatory Therapy: Virtual Search for Dual Inhibitors of Caspase-1 and TNF-Alpha.
Biomolecules
; 11(12)2021 12 04.
Artículo
en Inglés
| MEDLINE | ID: mdl-34944476
19.
Computational Drug Repurposing for Antituberculosis Therapy: Discovery of Multi-Strain Inhibitors.
Antibiotics (Basel)
; 10(8)2021 Aug 19.
Artículo
en Inglés
| MEDLINE | ID: mdl-34439055
20.
Artificial Intelligence, Big Data and Machine Learning Approaches in Precision Medicine & Drug Discovery.
Curr Drug Targets
; 22(6): 631-655, 2021.
Artículo
en Inglés
| MEDLINE | ID: mdl-33397265