Identification of novel DHFR inhibitors for treatment of tuberculosis by combining virtual screening with in vitro activity assay

被引：6
|
作者：
Wang, Nan [1 ]
Ren, Ji-Xia [2 ]
Xie, Yong [1 ]
机构：
[1] Chinese Acad Med Sci, Peking Union Med Coll, Key Lab Bioact Subst & Resources Utilizat Chinese, Minist Educ,Inst Med Plant Dev, 151 Malianwa North Rd, Beijing 100193, Peoples R China
[2] Liaocheng Univ, Coll Life Sci, Liaocheng 252059, Peoples R China
来源：
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS | 2019年 / 37卷 / 04期
基金：
中国国家自然科学基金;
关键词：
HUMAN DIHYDROFOLATE-REDUCTASE; SILICO;
D O I：
10.1080/07391102.2018.1448721
中图分类号：
Q5 [生物化学]; Q7 [分子生物学];
学科分类号：
071010 ; 081704 ;
摘要：
引用
收藏
页码：1054 / 1061
页数：8
相关论文
共 50 条
  • [41] Virtual Screening, Identification and In Vitro Testing of Novel Inhibitors of O-Acetyl-L-Serine Sulfhydrylase of Entamoeba histolytica
    Nagpal, Isha
    Raj, Isha
    Subbarao, Naidu
    Gourinath, Samudrala
    PLOS ONE, 2012, 7 (02):
  • [42] Structure-based virtual screening as a tool for the identification of novel inhibitors against Mycobacterium tuberculosis 3-dehydroquinate dehydratase
    Petersen, Guilherme O.
    Saxena, Shalini
    Renuka, Janupally
    Soni, Vijay
    Yogeeswari, Perumal
    Santos, Diogenes S.
    Bizarro, Cristiano V.
    Sriram, Dharmarajan
    JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2015, 60 : 124 - 131
  • [43] In silico virtual screening for the identification of novel inhibitors against dihydrodipicolinate reductase (DapB) of Mycobacterium tuberculosis, a key enzyme of diaminopimelate pathway
    Angrish, Nupur
    Lalwani, Neha
    Khare, Garima
    MICROBIOLOGY SPECTRUM, 2023, 11 (06):
  • [44] Identification of novel MEK1 inhibitors by computer docking and virtual screening
    Kim, Dong Joon
    Reddy, Srinivasa
    Li, Yan
    Bode, Ann M.
    Dong, Zigang
    CANCER RESEARCH, 2011, 71
  • [45] Virtual screening, identification and experimental testing of novel inhibitors of human dopa decarboxylase
    Daidone, F.
    Daidone, F.
    Montioli, R.
    Paiardini, A.
    Giardina, G.
    Macchiarulo, A.
    Bossa, F.
    Voltattorni, C.
    FEBS JOURNAL, 2011, 278 : 261 - 261
  • [46] Identification of novel PTPRQ phosphatase inhibitors based on the virtual screening with docking simulations
    Park, Hwangseo
    Yu, Keum Ran
    Ku, Bonsu
    Kim, Bo Yeon
    Kim, Seung Jun
    THEORETICAL BIOLOGY AND MEDICAL MODELLING, 2013, 10
  • [47] Identification of novel BRAF kinase inhibitors with structure-based virtual screening
    Park, Hwangseo
    Choi, Hwanho
    Hong, Seunghee
    Hong, Sungwoo
    BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2011, 21 (19) : 5753 - 5756
  • [48] Identification of Novel Breast Cancer Resistance Protein (BCRP) Inhibitors by Virtual Screening
    Pan, Yongmei
    Chothe, Paresh P.
    Swaan, Peter W.
    MOLECULAR PHARMACEUTICS, 2013, 10 (04) : 1236 - 1248
  • [49] Identification of Novel Nitrosative Stress Inhibitors through Virtual Screening and Experimental Evaluation
    Sirimulla, Suman
    Pal, Rituraj
    Raparla, Mrudula
    Bailey, Jake B.
    Duran, Rene
    Altamirano, Alvin M.
    Herndon, William C.
    Narayan, Mahesh
    MOLECULAR INFORMATICS, 2012, 31 (02) : 167 - 172
  • [50] Identification of Novel CDK2 Inhibitors by QSAR and Virtual Screening Procedures
    Babu, Padavala Ajay
    Smiles, Dondapati Jesse
    Narasu, Mangamoori Laxmi
    Srinivas, Kolli
    QSAR & COMBINATORIAL SCIENCE, 2008, 27 (11-12): : 1362 - 1373
12345