Detalles de la búsqueda
1.
Exploring cyclopropylamine containing cyanopyrimidines as LSD1 inhibitors: Design, synthesis, ADMET, MD analysis and anticancer activity profiling.
Bioorg Chem
; 147: 107336, 2024 Jun.
Artículo
en Inglés
| MEDLINE | ID: mdl-38636431
2.
An Insight into the Structural Requirements and Pharmacophore Identification of Carbonic Anhydrase Inhibitors to Combat Oxidative Stress at High Altitudes: An In-Silico Approach.
Curr Issues Mol Biol
; 44(3): 1027-1045, 2022 Feb 23.
Artículo
en Inglés
| MEDLINE | ID: mdl-35723291
3.
Toward the Discovery of a Novel Class of Leads for High Altitude Disorders by Virtual Screening and Molecular Dynamics Approaches Targeting Carbonic Anhydrase.
Int J Mol Sci
; 23(9)2022 May 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-35563445
4.
Microsecond MD Simulations to Explore the Structural and Energetic Differences between the Human RXRα-PPARγ vs. RXRα-PPARγ-DNA.
Molecules
; 27(18)2022 Sep 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-36144514
5.
Green Synthesis of Oxoquinoline-1(2H)-Carboxamide as Antiproliferative and Antioxidant Agents: An Experimental and In-Silico Approach to High Altitude Related Disorders.
Molecules
; 27(1)2022 Jan 04.
Artículo
en Inglés
| MEDLINE | ID: mdl-35011539
6.
Lipid-Based Nanoparticle Formulation of Diallyl Trisulfide Chemosensitizes the Growth Inhibitory Activity of Doxorubicin in Colorectal Cancer Model: A Novel In Vitro, In Vivo and In Silico Analysis.
Molecules
; 27(7)2022 Mar 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-35408590
7.
Design and synthesis of pyrazole-pyrazoline hybrids as cancer-associated selective COX-2 inhibitors.
Arch Pharm (Weinheim)
; 354(1): e2000116, 2021 Jan.
Artículo
en Inglés
| MEDLINE | ID: mdl-33015829
8.
Targeting SARS-CoV-2 main protease by teicoplanin: A mechanistic insight by docking, MM/GBSA and molecular dynamics simulation.
J Mol Struct
; 1246: 131124, 2021 Dec 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-34305175
9.
Inclusion complex of clausenidin with hydroxypropyl-ß-cyclodextrin: Improved physicochemical properties and anti-colon cancer activity.
Saudi Pharm J
; 29(3): 223-235, 2021 Mar.
Artículo
en Inglés
| MEDLINE | ID: mdl-33981171
10.
Breaking Down the Barriers to a Natural Antiviral Agent: Antiviral Activity and Molecular Docking of Erythrina speciosa Extract, Fractions, and the Major Compound.
Chem Biodivers
; 17(2): e1900511, 2020 Feb.
Artículo
en Inglés
| MEDLINE | ID: mdl-31800173
11.
Degree-based topological indices and polynomials of hyaluronic acid-curcumin conjugates.
Saudi Pharm J
; 28(9): 1093-1100, 2020 Sep.
Artículo
en Inglés
| MEDLINE | ID: mdl-32922140
12.
Zerumbone Induces Apoptosis in Breast Cancer Cells by Targeting αvß3 Integrin upon Co-Administration with TP5-iRGD Peptide.
Molecules
; 24(14)2019 Jul 13.
Artículo
en Inglés
| MEDLINE | ID: mdl-31337024
13.
Zerumbone binding to estrogen receptors: an in-silico investigation.
J Recept Signal Transduct Res
; 38(4): 342-351, 2018 Aug.
Artículo
en Inglés
| MEDLINE | ID: mdl-30396310
14.
Anti-endotoxin effects of terpenoids fraction from Hygrophila auriculata in lipopolysaccharide-induced septic shock in rats.
Pharm Biol
; 54(4): 628-36, 2016.
Artículo
en Inglés
| MEDLINE | ID: mdl-26428681
15.
Molecular interaction studies of green tea catechins as multitarget drug candidates for the treatment of Parkinson's disease: computational and structural insights.
Network
; 26(3-4): 97-115, 2015.
Artículo
en Inglés
| MEDLINE | ID: mdl-27030558
16.
Deciphering Campylobacter jejuni DsbA1 protein dynamics in the presence of anti-virulent compounds: a multi-pronged computer-aided approach.
J Biomol Struct Dyn
; : 1-17, 2024 Jan 17.
Artículo
en Inglés
| MEDLINE | ID: mdl-38230450
17.
Effectiveness of estrogen and its derivatives over dexamethasone in the treatment of COVID-19.
J Biomol Struct Dyn
; 42(4): 1858-1874, 2024.
Artículo
en Inglés
| MEDLINE | ID: mdl-37129196
18.
The role of Aedes aegypti in inducing/aggravating IgE-mediated allergic airway disease: extensive computational studies for identification of allergenic proteins.
J Biomol Struct Dyn
; 42(5): 2738-2745, 2024 Mar.
Artículo
en Inglés
| MEDLINE | ID: mdl-37194307
19.
Formulation, In Vitro and In Silico Evaluations of Anise (Pimpinella anisum L.) Essential Oil Emulgel with Improved Antimicrobial Effects.
Gels
; 9(2)2023 Jan 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-36826281
20.
Identification of potential inhibitors of HER2 targeting breast cancer-a structure-based drug design approach.
J Biomol Struct Dyn
; : 1-18, 2023 Aug 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-37565730