Perspectives on current approaches to virtual screening in drug discovery
Introduction For the past two decades, virtual screening (VS) has been an efficient hit finding
approach for drug discovery. Today, billions of commercially accessible compounds are …
approach for drug discovery. Today, billions of commercially accessible compounds are …
Small molecule inhibitors targeting PD-L1, CTLA4, VISTA, TIM-3, and LAG3 for cancer immunotherapy (2020-2024)
B Cheng, J Lv, Y **ao, C Song, J Chen… - European Journal of …, 2024 - Elsevier
Cancer immunotherapy, leveraging antibodies, excels in targeting efficacy but faces hurdles
in tissue penetration, oral delivery, and prolonged half-life, with costly production and risk of …
in tissue penetration, oral delivery, and prolonged half-life, with costly production and risk of …
Small molecules from antibody pharmacophores (SMAbPs) as a hit identification workflow for immune checkpoints
SA Abdel-Rahman, MT Gabr - Science Advances, 2024 - science.org
Small-molecule modulators of immune checkpoints are poised to revolutionize cancer
immunotherapy. However, efficient strategies for hit identification are lacking. We introduce …
immunotherapy. However, efficient strategies for hit identification are lacking. We introduce …
Small Molecule Immunomodulators as Next-Generation Therapeutics for Glioblastoma
SA Abdel-Rahman, M Gabr - Cancers, 2024 - mdpi.com
Simple Summary Glioblastoma (GBM) is an aggressive brain tumor with limited treatment
success. Despite efforts, the prognosis remains poor, impacting patients' quality of life …
success. Despite efforts, the prognosis remains poor, impacting patients' quality of life …
Small molecules targeting immune checkpoint proteins for cancer immunotherapy: a patent and literature review (2020-2024)
Q Geng, J Xu, C Du, D Zhang, Y **… - Expert Opinion on …, 2025 - Taylor & Francis
Introduction Targeting immune checkpoint proteins (ICPs) via small molecules open a new
window for cancer immunotherapy. Herein, we summarize recent advances of small …
window for cancer immunotherapy. Herein, we summarize recent advances of small …
Structure-Based Rational Design of Constrained Peptides as TIM-3 Inhibitors
SA Abdel-Rahman, V Ovchinnikov… - ACS Medicinal …, 2024 - ACS Publications
Blocking the immunosuppressive function of T-cell immunoglobulin mucin-3 (TIM-3) is an
established therapeutic strategy to maximize the efficacy of immune checkpoint inhibitors for …
established therapeutic strategy to maximize the efficacy of immune checkpoint inhibitors for …
Design of cyclic peptides as novel inhibitors of ICOS/ICOSL interaction
SA Abdel‐Rahman, BL Santini, L Calvo-Barreiro… - Bioorganic & Medicinal …, 2024 - Elsevier
Compared to small molecules and antibodies, cyclic peptides exhibit unique biochemical
and therapeutic attributes in the realm of pharmaceutical applications. The interaction …
and therapeutic attributes in the realm of pharmaceutical applications. The interaction …
From Virtual Screens to Cellular Target Engagement: New Small Molecule Ligands for the Immune Checkpoint LAG-3
N Fuchs, L Calvo-Barreiro, V Talagayev… - ACS Medicinal …, 2024 - ACS Publications
Herein, we performed a virtual screening study to discover new scaffolds for small molecule-
based ligands of the immune checkpoint lymphocyte-activation gene 3 (LAG-3). Molecular …
based ligands of the immune checkpoint lymphocyte-activation gene 3 (LAG-3). Molecular …
[HTML][HTML] Development of small molecule drugs targeting immune checkpoints
L Chen, X Zhao, X Liu, Y Ouyang, C Xu… - Cancer Biology & …, 2024 - ncbi.nlm.nih.gov
Immune checkpoint inhibitors (ICIs) are used to relieve and refuel anti-tumor immunity by
blocking the interaction, transcription, and translation of co-inhibitory immune checkpoints or …
blocking the interaction, transcription, and translation of co-inhibitory immune checkpoints or …
Structural aspects of CEACAM1 interactions
Carcinoembryonic antigen‐related cell adhesion molecule 1 (CEACAM1) is a membrane
protein that plays an important role in a variety of immune and non‐immune functions. Such …
protein that plays an important role in a variety of immune and non‐immune functions. Such …