Detalhe da pesquisa
1.
Novel B, C-ring truncated deguelin derivatives reveals as potential inhibitors of cyclin D1 and cyclin E using molecular docking and molecular dynamic simulation.
Mol Divers
; 26(4): 2295-2309, 2022 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-34626304
2.
Pharmacoinformatics-based identification of transmembrane protease serine-2 inhibitors from Morus Alba as SARS-CoV-2 cell entry inhibitors.
Mol Divers
; 26(1): 265-278, 2022 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-33786727
3.
Biofilm inhibition and anti-quorum sensing activity of phytosynthesized silver nanoparticles against the nosocomial pathogen Pseudomonas aeruginosa.
Biofouling
; 35(1): 34-49, 2019 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-30727758
4.
Dual inhibition of cyclooxygenase-2 (COX-2) and 5-lipoxygenase (5-LOX) by resveratrol derivatives in cancer therapy: in silico approach.
J Biomol Struct Dyn
; 41(17): 8571-8586, 2023.
Artigo
em Inglês
| MEDLINE | ID: mdl-36282056
5.
An in-silico investigation and network pharmacology based approach to explore the anti-breast-cancer potential of Tecteria coadunata (Wall.) C. Chr.
J Biomol Struct Dyn
; : 1-12, 2023 Sep 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-37655689
6.
Exploring Potential Non-steroidal Aromatase Inhibitors for Therapeutic Application against Estrogen-dependent Breast Cancer.
Curr Comput Aided Drug Des
; 19(4): 243-257, 2023.
Artigo
em Inglês
| MEDLINE | ID: mdl-36644872
7.
Pharmacoinformatics approach for the screening of Kovidra (Bauhinia variegata) phytoconstituents against tumor suppressor protein in triple negative breast cancer.
J Biomol Struct Dyn
; : 1-20, 2023 Jun 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-37288734
8.
GC-MS profiling of Bauhinia variegata major phytoconstituents with computational identification of potential lead inhibitors of SARS-CoV-2 Mpro.
Comput Biol Med
; 147: 105679, 2022 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-35667152
9.
In Silico Exploration of Phytoconstituents From Phyllanthus emblica and Aegle marmelos as Potential Therapeutics Against SARS-CoV-2 RdRp.
Bioinform Biol Insights
; 15: 11779322211027403, 2021.
Artigo
em Inglês
| MEDLINE | ID: mdl-34248355
10.
Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer.
J Comput Chem
; 31(12): 2342-53, 2010 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-20340106
11.
Molecular interaction studies of Deguelin and its derivatives with Cyclin D1 and Cyclin E in cancer cell signaling pathway: The computational approach.
Sci Rep
; 9(1): 1778, 2019 02 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-30741976
12.
Pharmacophore mapping of arylbenzothiophene derivatives for MCF cell inhibition using classical and 3D space modeling approaches.
J Mol Graph Model
; 26(5): 884-92, 2008 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-17643328
13.
Molecular Modeling, Docking, Dynamics and Simulation of Gefitinib and its Derivatives with EGFR in Non-small Cell Lung Cancer.
Curr Comput Aided Drug Des
; 14(3): 246-252, 2018.
Artigo
em Inglês
| MEDLINE | ID: mdl-29493460
14.
Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies.
Eur J Med Chem
; 45(9): 4307-15, 2010 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-20638757
15.
Pharmacophore mapping of flavone derivatives for aromatase inhibition.
Mol Divers
; 12(1): 65-76, 2008 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-18506592
16.
Molecular design based on receptor-independent pharmacophore: application to estrogen receptor ligands.
Biol Pharm Bull
; 31(7): 1453-60, 2008 Jul.
Artigo
em Inglês
| MEDLINE | ID: mdl-18591792
17.
Pharmacophore search for anti-fertility and estrogenic potencies of estrogen analogs.
J Mol Model
; 14(11): 1071-82, 2008 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-18663492
18.
Pharmacophore mapping of selective binding affinity of estrogen modulators through classical and space modeling approaches: exploration of bridged-cyclic compounds with diarylethylene linkage.
J Chem Inf Model
; 47(2): 475-87, 2007.
Artigo
em Inglês
| MEDLINE | ID: mdl-17328537