Detalles de la búsqueda
1.
Repurposing FIASMAs against Acid Sphingomyelinase for COVID-19: A Computational Molecular Docking and Dynamic Simulation Approach.
Molecules
; 28(7)2023 Mar 27.
Artículo
en Inglés
| MEDLINE | ID: mdl-37049752
2.
Pharmacological Basis of Rumex hastatus D. Don in Gastrointestinal Diseases with Focusing Effects on H+/K+-ATPase, Calcium Channels Inhibition and PDE Mediated Signaling: Toxicological Evaluation on Vital Organs.
Molecules
; 27(18)2022 Sep 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-36144661
3.
Exploring the potential of novel phenolic compounds as potential therapeutic candidates against SARS-CoV-2, using quantum chemistry, molecular docking and dynamic studies.
Bioorg Med Chem Lett
; 43: 128079, 2021 07 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-33940136
4.
Novel coumarin-isatin hybrids as potent antileishmanial agents: Synthesis, in silico and in vitro evaluations.
Bioorg Chem
; 110: 104816, 2021 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-33799180
5.
Structure-Based Virtual Screening Identifies Multiple Stable Binding Sites at the RecA Domains of SARS-CoV-2 Helicase Enzyme.
Molecules
; 26(5)2021 Mar 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-33800013
6.
A computational study to disclose potential drugs and vaccine ensemble for COVID-19 conundrum.
J Mol Liq
; 324: 114734, 2021 Feb 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-33199930
7.
Towards a novel peptide vaccine for Middle East respiratory syndrome coronavirus and its possible use against pandemic COVID-19.
J Mol Liq
; 324: 114706, 2021 Feb 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-33173250
8.
Identification of potential inhibitors of Zika virus NS5 RNA-dependent RNA polymerase through virtual screening and molecular dynamic simulations.
Saudi Pharm J
; 28(12): 1580-1591, 2020 Dec.
Artículo
en Inglés
| MEDLINE | ID: mdl-33424251
9.
A perspective on structural and computational work on collagen.
Phys Chem Chem Phys
; 18(36): 24802-24811, 2016 Sep 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-27711449
10.
Molecular docking studies for the identification of novel melatoninergic inhibitors for acetylserotonin-O-methyltransferase using different docking routines.
Theor Biol Med Model
; 10: 63, 2013 Oct 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-24156411
11.
Immunoinformatics Approach to Design a Multi-Epitope Vaccine against Cutaneous Leishmaniasis.
Vaccines (Basel)
; 11(2)2023 Feb 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-36851219
12.
Exploring Novel 1-Hydroxynaphthalene-2-Carboxanilides Based Inhibitors Against C-Jun N-Terminal Kinases Through Molecular Dynamic Simulation and WaterSwap Analysis.
Appl Biochem Biotechnol
; 2023 Jul 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-37436549
13.
In-silico Evaluation of Novel Honokiol Derivatives against Breast Cancer Target Protein LKB1.
Anticancer Agents Med Chem
; 23(12): 1388-1396, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-37005537
14.
A GHRHR founder mutation causes isolated growth hormone deficiency type IV in a consanguineous Pakistani family.
Front Endocrinol (Lausanne)
; 14: 1066182, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-36960394
15.
Biological Evaluation and Computational Studies of Methoxy-flavones from Newly Isolated Radioresistant Micromonospora aurantiaca Strain TMC-15.
Appl Biochem Biotechnol
; 195(8): 4915-4935, 2023 Aug.
Artículo
en Inglés
| MEDLINE | ID: mdl-37115385
16.
Computational design of experimentally validated multi-epitopes vaccine against hepatitis E virus: An immunological approach.
PLoS One
; 18(12): e0294663, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-38096182
17.
Autosomal recessive variants c.953A>C and c.97-1G>C in NSUN2 causing intellectual disability: a molecular dynamics simulation study of loss-of-function mechanisms.
Front Neurol
; 14: 1168307, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-37305761
18.
An Evolutionary Insight Into the Heterogeneous Severity Pattern of the SARS-CoV-2 Infection.
Front Genet
; 13: 859508, 2022.
Artículo
en Inglés
| MEDLINE | ID: mdl-35391792
19.
Effect of Rumex dentatus on Gastrointestinal Protection and Toxicology in Rodents via Investigating H+/K+-ATPase, Calcium Channels, and PDE Mediated Signaling.
Front Pharmacol
; 13: 936161, 2022.
Artículo
en Inglés
| MEDLINE | ID: mdl-36052146
20.
Bacillus species; a potential source of anti-SARS-CoV-2 main protease inhibitors.
J Biomol Struct Dyn
; 40(13): 5748-5758, 2022 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-33446058