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1.
Inherent efficacies of pyrazole-based derivatives for cancer therapy: the interface between experiment and in silico.
Future Med Chem;
15(18): 1719-1738, 2023 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-37772542
2.
Exploring the effect of ritonavir and TMC-310911 on SARS-CoV-2 and SARS-CoV main proteases: potential from a molecular perspective.
Future Sci OA;
7(1): FSO640, 2020 Nov 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-33432269
3.
'Piperazining' the catalytic gatekeepers: unraveling the pan-inhibition of SRC kinases; LYN, FYN and BLK by masitinib.
Future Med Chem;
11(18): 2365-2380, 2019 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-31516031
4.
Hybrid 2D/3D-quantitative structure-activity relationship and modeling studies perspectives of pepstatin A analogs as cathepsin D inhibitors.
Future Med Chem;
10(1): 5-26, 2018 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-29235371
5.
Co-inhibition as a strategic therapeutic approach to overcome rifampin resistance in tuberculosis therapy: atomistic insights.
Future Med Chem;
10(14): 1665-1675, 2018 07 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-29957065
6.
Reversible versus irreversible inhibition modes of ERK2: a comparative analysis for ERK2 protein kinase in cancer therapy.
Future Med Chem;
10(9): 1003-1015, 2018 05 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-29629569
7.
Quantum mechanics implementation in drug-design workflows: does it really help?
Drug Des Devel Ther;
11: 2551-2564, 2017.
Artículo
en Inglés
| MEDLINE | ID: mdl-28919707
8.
Tailored-pharmacophore model to enhance virtual screening and drug discovery: a case study on the identification of potential inhibitors against drug-resistant Mycobacterium tuberculosis (3R)-hydroxyacyl-ACP dehydratases.
Future Med Chem;
9(10): 1055-1071, 2017 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-28632406
9.
Novel quinazolinone-based 2,4-thiazolidinedione-3-acetic acid derivatives as potent aldose reductase inhibitors.
Future Med Chem;
9(18): 2147-2166, 2017 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-29098865
10.
Per-residue energy decomposition pharmacophore model to enhance virtual screening in drug discovery: a study for identification of reverse transcriptase inhibitors as potential anti-HIV agents.
Drug Des Devel Ther;
10: 1365-77, 2016.
Artículo
en Inglés
| MEDLINE | ID: mdl-27114700
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