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.
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
15.
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
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.
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
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.
An in silico study to unveil potential drugs and vaccine chimera for HBV capsid assembly protein: combined molecular docking and dynamics simulation approach.
J Mol Model;
28(2): 51, 2022 Feb 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-35112241
20.
Design of a Multi-Epitopes Vaccine against Hantaviruses: An Immunoinformatics and Molecular Modelling Approach.
Vaccines (Basel);
10(3)2022 Feb 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-35335010