Discovery of potential PD-L1 small molecule inhibitors as novel cancer therapeutics using machine learning-based QSAR models: A virtual drug repurposing study

被引:0
|
作者
Siyah, Pinar [1 ]
Durdagi, Serdar [2 ]
Aksoydan, Busecan [1 ]
机构
[1] Bahcesxehir Univ, Sch Pharm, Istanbul, Turkiye
[2] Bahcesxehir Univ, Dept Biophys, Istanbul, Turkiye
关键词
D O I
暂无
中图分类号
Q6 [生物物理学];
学科分类号
071011 ;
摘要
706-Pos
引用
收藏
页码:144A / 144A
页数:1
相关论文
共 43 条
  • [21] Development of a machine learning-based radiomics signature for estimating breast cancer TME phenotypes and predicting anti-PD-1/PD-L1 immunotherapy response
    Han, Xiaorui
    Guo, Yuan
    Ye, Huifen
    Chen, Zhihong
    Hu, Qingru
    Wei, Xinhua
    Liu, Zaiyi
    Liang, Changhong
    BREAST CANCER RESEARCH, 2024, 26 (01)
  • [22] Development of a machine learning-based radiomics signature for estimating breast cancer TME phenotypes and predicting anti-PD-1/PD-L1 immunotherapy response
    Xiaorui Han
    Yuan Guo
    Huifen Ye
    Zhihong Chen
    Qingru Hu
    Xinhua Wei
    Zaiyi Liu
    Changhong Liang
    Breast Cancer Research, 26
  • [23] Predicting PD-L1 Expression Level in Non-Small Cell Lung Cancer on Computed tomography Using Machine Learning
    Shiinoki, T.
    Fujimoto, K.
    Kawazoe, Y.
    Yuasa, Y.
    Kajima, M.
    Manabe, Y.
    Hirano, T.
    Matsunaga, K.
    Tanaka, H.
    MEDICAL PHYSICS, 2021, 48 (06)
  • [24] Design, synthesis, pharmacological evaluation, and computational study of benzo[d] isothiazol-based small molecule inhibitors targeting PD-1/ PD-l1 interaction
    Wang, Hanxun
    Shen, Lanlan
    Chen, Lu
    Gao, Yinli
    Ma, Lanyan
    Lian, Wenxiong
    Zhang, Zhihao
    Liu, Haihan
    Yang, Huali
    Wang, Jian
    Zhao, Dongmei
    Cheng, Maosheng
    EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2024, 275
  • [25] Discovery of quinazoline derivatives as novel small-molecule inhibitors targeting the programmed cell death-1/programmed cell death-ligand 1 (PD-1/PD-L1) interaction
    Wang, Yu
    Huang, Kun
    Gao, Yali
    Yuan, Dandan
    Ling, Lin
    Liu, Jieqing
    Wu, Sihai
    Chen, Roufen
    Li, He
    Xiong, Yizu
    Liu, Han
    Ma, Junjie
    EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2022, 229
  • [26] A Machine Learning Approach Using PET/CT-based Radiomics for Prediction of PD-L1 Expression in Non-small Cell Lung Cancer
    Lim, Chae Hong
    Koh, Young Wha
    Hyun, Seung Hyup
    Lee, Su Jin
    ANTICANCER RESEARCH, 2022, 42 (12) : 5875 - 5884
  • [27] Discovery of Novel d-(+)-Biotin-Conjugated Resorcinol Dibenzyl Ether-Based PD-L1 Inhibitors for Targeted Cancer Immunotherapy
    Ding, Zongbao
    Wang, Shuanghu
    Shi, Yaru
    Fei, Xiaoting
    Cheng, Binbin
    Lu, Yiyu
    Chen, Jianjun
    JOURNAL OF MEDICINAL CHEMISTRY, 2023, 66 (15) : 10364 - 10380
  • [28] Discovery and optimization of novel small-molecule HIV-1 entry inhibitors using field-based virtual screening and bioisosteric replacement
    Tuyishime, Marina
    Danish, Matt
    Princiotto, Amy
    Mankowski, Marie K.
    Lawrence, Rae
    Lombart, Henry-Georges
    Esikov, Kirill
    Berniac, Joel
    Kuang Liang
    Ji Jingjing
    Ptak, Roger G.
    Madani, Navid
    Cocklin, Simon
    BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2014, 24 (23) : 5439 - 5445
  • [29] Discovery of novel PDGFR inhibitors targeting non-small cell lung cancer using a multistep machine learning assisted hybrid virtual screening approach
    Reddy, Sandhi Kranthi
    Reddy, S. V. G.
    Basha, Syed Hussain
    RSC ADVANCES, 2025, 15 (02) : 851 - 869
  • [30] Discovery of Novel and Highly Potent Resorcinol Dibenzyl Ether-Based PD-1/PD-L1 Inhibitors with Improved Drug-like and Pharmacokinetic Properties for Cancer Treatment (vol 63, pg 15946, 2020)
    Cheng, Binbin
    Wang, Wei
    Niu, Xiaoge
    Ren, Yichang
    Liu, Ting
    Cao, Hao
    Wang, Shuanghu
    Tu, Yingfeng
    Chen, Jingxuan
    Liu, Shuwen
    Yang, Xuchao
    Chen, Jianjun
    JOURNAL OF MEDICINAL CHEMISTRY, 2024, 67 (14) : 12460 - 12460