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

In silico identification of promising PD-L1 inhibitors from selected indian medicinal plants for treatment of triple negative breast cancer

Sk. Faisal Ahmed, Md. Shohel Hossain, Amalesh Mondal, Musab Shahariar, Shormila Akter Sumya, Nahid Sultan Rizu, Lamia Hasan Joarder Barsha

published 10 Jul 2025

Loading metrics information...

Metrics unavailable. Please check back later.

ABC transporters knockout in Aedes aegypti induces upregulation of paralogous genes, avoiding resistance development to Bacillus thuringiensis Cry toxins

Sabino Pacheco, Marcos Chiñas, Juan Ulises Gómez, Ángel Enrique Peláez-Aguilar, Nathaly Alexandre do Nascimento, Pablo Emiliano Cantón, Jorge Sánchez, Samira López-Molina, Isabel Gómez, Mario Soberón, Alejandra Bravo

published 03 Jul 2025

Loading metrics information...

Metrics unavailable. Please check back later.

Multiscale computational evaluation of Vitex trifolia phytochemicals as VEGFR2 inhibitors for targeted breast cancer therapy

Arooj Fatima, Muhammad Umer Khan, Saooda Ibrahim, Iqra Khurram, Qasim Ammar, Raima Rehman, Alaa S. Alhegaili, Raghad S. Alhejaili, Nawal Alsubaie, Muhammad Ikram Ullah

published 10 Jun 2025

Loading metrics information...

Metrics unavailable. Please check back later.

Fragment-based drug discovery for transthyretin kinetic stabilisers using a novel capillary zone electrophoresis method

Wenjie Chen

published 14 May 2025

Loading metrics information...

Metrics unavailable. Please check back later.

Design, optimization, and ADMET evaluation of S11a-0000168202: A promising LIMK1 inhibitor for gastric cancer treatment

Guojun Li, Jionghuang Chen, Rui Chen, Weihua Yu

published 14 May 2025

Loading metrics information...

Metrics unavailable. Please check back later.

Discovery of ROCK2 inhibitors through computational screening of ZINC database: Integrating pharmacophore modeling, molecular docking, and MD simulations

Abdullah R. Alanzi, Abdelaaty A. Shahat, Bayan Abdullah Alhaidhal, Raghad Mohammad Aloatibi

published 13 May 2025

Loading metrics information...

Metrics unavailable. Please check back later.

Unraveling potential EGFR kinase inhibitors: Computational screening, molecular dynamics insights, and MMPBSA analysis for targeted cancer therapy development

Muhammad Naseem Khan, Umar Farooq, Aneela Khushal, Tanveer A. Wani, Seema Zargar, Sara Khan

published 09 May 2025

Loading metrics information...

Metrics unavailable. Please check back later.

Virtual screening and molecular dynamics simulation study of ATP-competitive inhibitors targeting mTOR protein

Mei-Yu Jin, Hao Yu, Qiong Deng, Zhu Wang, Jie-Yan Wang, Hao-Long Li, Hui Liang

published 05 May 2025

Loading metrics information...

Metrics unavailable. Please check back later.

Induction of zinc conjugated with Doxorubicin for the prevention of aggregating β-catenin in the Wnt signaling pathway investigated through computational approaches

Gomathi Rajagopal, Balajee Ramachandran, Paradesi Deivanayagam, Venkatesan Srinivasadesikan, Boomi Pandi, Saravanan Muthupandian, Rajamanikandan Sundarraj, Goyitom Gebremedhn Gebru

published 07 Apr 2025

Loading metrics information...

Metrics unavailable. Please check back later.

Functional profiling of synthetic camel milk-derived peptides with implication in glucose transport and diabetes

Irfa Anwar, Farheen Badrealam Khan, Bincy Baby, Priya Antony, Priti Mudgil, Chee-Yuen Gan, Sajid Maqsood, Ranjit Vijayan, Khalid Muhammad, Mohammed Akli Ayoub

published 28 Mar 2025

Loading metrics information...

Metrics unavailable. Please check back later.

Exploring Marine natural products as potential Quorum sensing inhibitors by targeting the PqsR in Pseudomonas aeruginosa: Virtual screening assisted structural dynamics study

Manikandan Jayaraman, Vijayakumar Gosu, Rajalakshmi Kumar, Jeyakanthan Jeyaraman, Hak-kyo Lee, Donghyun Shin

published 28 Mar 2025

Loading metrics information...

Metrics unavailable. Please check back later.

The NADC30-like PRRSV activates the integrin αV subunit to facilitate its entry into Marc-145 cells

Chunlin Li, Jin Cui, Hui Zheng, Zhou Sha, Rong Wei, Rui Wu, Bo Ni

published 27 Mar 2025

Loading metrics information...

Metrics unavailable. Please check back later.

cAmbly: A non-toxic cell-penetrating peptide derived from Amblyomin-X with targeted delivery to mitochondrial and cytoplasmic proteins

Marcus Vinicius Buri, Graciana Yokota Garavelli, Hugo Vigerelli, Marcelo Medina de Souza, Aline Ramos Maia Lobba, Sonja Ghidelli-Disse, Ana Marisa Chudzinski-Tavassi

published 12 Mar 2025

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"