Advertisement

Browse Subject Areas

?

Click through the PLOS taxonomy to find articles in your field.

For more information about PLOS Subject Areas, click here.

Molecular docking

In silico and in vitro studies on the anti-cancer activity of andrographolide targeting survivin in human breast cancer stem cells

Septelia Inawati Wanandi, Agus Limanto, [ ... ], Sekar Arumsari

Aldose reductase inhibitor form Cassia glauca: A comparative study of cytotoxic activity with Ag nanoparticles (NPs) and molecular docking evaluation

Samir M. Osman, Nahla A. Ayoub, [ ... ], Amr M. Saadeldeen

Potential bioactive glycosylated flavonoids as SARS-CoV-2 main protease inhibitors: A molecular docking and simulation studies

Sabri Ahmed Cherrak, Hafida Merzouk, Nassima Mokhtari-Soulimane

Pellucidin A promotes antinociceptive activity by peripheral mechanisms inhibiting COX-2 and NOS: In vivo and in silico study

Amanda Pâmela Santos Queiroz, Manolo Cleiton Costa Freitas, [ ... ], Gilmara N. T. Bastos

Inhibitory effects of compounds from the roots of Potentilla longifolia on lipid accumulation

Shengxi Lin, Xiaoyan Zhao, [ ... ], Haidan Yuan

Piperidine scaffold as the novel P2-ligands in cyclopropyl-containing HIV-1 protease inhibitors: Structure-based design, synthesis, biological evaluation and docking study

Huiyu Zhou, Mei Zhu, [ ... ], Juxian Wang

Inhibitory effect of a weight-loss Chinese herbal formula RCM-107 on pancreatic α-amylase activity: Enzymatic and in silico approaches

Shiqi Luo, George Binh Lenon, [ ... ], Linh Toan Nguyen

Evaluating kratom alkaloids using PHASE

Christopher R. Ellis, Rebecca Racz, [ ... ], Lidiya Stavitskaya

Informatics investigations into anti-thyroid drug induced agranulocytosis associated with multiple HLA-B alleles

Kerry A. Ramsbottom, Daniel F. Carr, Daniel J. Rigden, Andrew R. Jones

Thymidine phosphorylase and prostrate cancer cell proliferation inhibitory activities of synthetic 4-hydroxybenzohydrazides: In vitro, kinetic, and in silico studies

Sumaira Javaid, Syed Muhammad Saad, [ ... ], Atta-ur Rahman

Antihypertensive activity, toxicity and molecular docking study of newly synthesized xanthon derivatives (xanthonoxypropanolamine)

Omprakash Goshain, Bahar Ahmed

Triazoloquinazolines as a new class of potent α-glucosidase inhibitors: in vitro evaluation and docking study

Hatem A. Abuelizz, El Hassane Anouar, [ ... ], Rashad Al-Salahi

Anticancer compound XL765 as PI3K/mTOR dual inhibitor: A structural insight into the inhibitory mechanism using computational approaches

Mohd Rehan

Advertisement

Create a weekly email alert for: Molecular docking

You can change these options by clicking profile then "Alerts and Notifications"