Advertisement

Browse Subject Areas

?

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

For more information about PLOS Subject Areas, click here.

Binding analysis

Targeting necroptosis in MCF-7 breast cancer cells: In Silico insights into 8,12-dimethoxysanguinarine from Eomecon Chionantha through molecular docking, dynamics, DFT, and MEP studies

Maram B. Alhawarri, Mohammad G. Al-Thiabat, Amit Dubey, Aisha Tufail, Katreen Banisalman, Ghazi A. Al Jabal, Eman Alkasasbeh, Esra’a Ibrahim Al-Trad, Bilal Harieth Alrimawi

published 07 Jan 2025

Loading metrics information...

Metrics unavailable. Please check back later.

Virtual screening and molecular dynamics simulations identify repurposed drugs as potent inhibitors of Histone deacetylase 1: Implication in cancer therapeutics

Mohammed Alrouji, Sabina Yasmin, Mohammed S. Alshammari, Fahad A. Alhumaydhi, Sharaf E. Sharaf, Moyad Shahwan, Anas Shamsi

published 03 Jan 2025

Loading metrics information...

Metrics unavailable. Please check back later.

Mechanism of connexin channel inhibition by mefloquine and 2-aminoethoxydiphenyl borate

Pia Lavriha, Yufei Han, Xinyue Ding, Dina Schuster, Chao Qi, Anand Vaithia, Paola Picotti, Volodymyr M. Korkhov

published 31 Dec 2024

Loading metrics information...

Metrics unavailable. Please check back later.

Integration of pharmacophore-based virtual screening, molecular docking, ADMET analysis, and MD simulation for targeting EGFR: A comprehensive drug discovery study using commercial databases

Abdullah R. Alanzi, Ashaimaa Y. Moussa, Mohammed S. Alsalhi, Tayyab Nawaz, Ijaz Ali

published 09 Dec 2024

Loading metrics information...

Metrics unavailable. Please check back later.

Elucidating the monoamine oxidase B inhibitory effect of kaurene diterpenoids from Xylopia aethiopica: An in silico approach

Funmilayo Gladys Famuyiwa, Rajesh B. Patil, Samson Oluwaseyi Famuyiwa, Uduak Ime Olayemi, Esther Aina Olanudun, Bhoomendra A. Bhongade, Jaiprakash N. Sangshetti, Esther Oluwatosin Shalom, Suvarna N. Vakare, Mohammed Sakib Musa, Abu Tayab Moin, Mohammad Helal Uddin, Kolade Olatubosun Faloye

published 27 Nov 2024

Loading metrics information...

Metrics unavailable. Please check back later.

Role of ruscogenin extracted from Radix Ophiopogon Japonicus in antagonizing 5-hydroxytryptamine and dopamine receptors through computational screening

Suya Ma, Yongmei Liu

published 19 Nov 2024

Loading metrics information...

Metrics unavailable. Please check back later.

Repurposing of drug candidates against Epstein–Barr virus: Virtual screening, docking computations, molecular dynamics, and quantum mechanical study

Mahmoud A. A. Ibrahim, Alaa M. A. Hassan, Eslam A. R. Mohamed, Gamal A. H. Mekhemer, Peter A. Sidhom, Mohamed A. El-Tayeb, Shahzeb Khan, Tamer Shoeib, Mahmoud E. S. Soliman, Alaa H. M. Abdelrahman

published 15 Nov 2024

Loading metrics information...

Metrics unavailable. Please check back later.

Direct activation of HSF1 by macromolecular crowding and misfolded proteins

Oliver Simoncik, Vlastimil Tichy, Michal Durech, Lenka Hernychova, Filip Trcka, Lukas Uhrik, Miroslav Bardelcik, Philip J. Coates, Borivoj Vojtesek, Petr Muller

published 04 Nov 2024

Loading metrics information...

Metrics unavailable. Please check back later.

Screening of phytoconstituents from Bacopa monnieri (L.) Pennell and Mucuna pruriens (L.) DC. to identify potential inhibitors against Cerebroside sulfotransferase

Nivedita Singh, Anil Kumar Singh

published 24 Oct 2024

Loading metrics information...

Metrics unavailable. Please check back later.

The final walk with preptin

Lucie Mrázková, Marta Lubos, Jan Voldřich, Erika Kužmová, Denisa Zrubecká, Petra Gwozdiaková, Miloš Buděšínský, Seiya Asai, Aleš Marek, Jan Pícha, Michaela Tencerová, Michaela Ferenčáková, Glenda Alquicer Barrera, Jakub Kaminský, Jiří Jiráček, Lenka Žáková

published 12 Sep 2024

Loading metrics information...

Metrics unavailable. Please check back later.

An analysis of differential gene expression in peripheral nerve and muscle utilizing RNA sequencing after polyethylene glycol nerve fusion in a rat sciatic nerve injury model

Samantha N. Weiss, Joseph M. Legato, Yichuan Liu, Courtney N. Vaccaro, Renata Pellegrino Da Silva, Sandra Miskiel, Grace V. Gilbert, Hakon Hakonarson, David A. Fuller, Russell J. Buono

published 04 Sep 2024

Loading metrics information...

Metrics unavailable. Please check back later.

Structural insight into the DNMT1 reaction cycle by cryo-electron microscopy

Inessa De, Jonas Weidenhausen, Nestor Concha, Christoph W. Müller

published 03 Sep 2024

Loading metrics information...

Metrics unavailable. Please check back later.

Insilico exploration C. koseri ATP synthase inhibitors by pharmacophore-based virtual screening, molecular docking and MD simulation

Abdullah R. Alanzi, Alanazi A. Z., Khalid Alhazzani

published 22 Aug 2024

Loading metrics information...

Metrics unavailable. Please check back later.

Advertisement

Create a weekly email alert for: Binding analysis

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