115 related articles for article (PubMed ID: 37817503)
1. Computational studies to explore inhibitors against the cyclin-dependent kinase 12/13 enzyme: an
Ghosh A; Jha PC; Manhas A
J Biomol Struct Dyn; 2023 Oct; ():1-14. PubMed ID: 37817503
[TBL] [Abstract][Full Text] [Related]
2. Identification of natural products against enoyl-acyl-carrier-protein reductase in malaria via combined pharmacophore modeling, molecular docking and simulations studies.
Manhas A; Ghosh A; Verma Y; Das T; Jha PC
J Biomol Struct Dyn; 2023 Mar; 41(5):2002-2015. PubMed ID: 35043754
[No Abstract] [Full Text] [Related]
3. Development, validation, and evaluation of a deep learning model to screen cyclin-dependent kinase 12 inhibitors in cancers.
Wen T; Wang J; Lu R; Tan S; Li P; Yao X; Liu H; Yi Z; Li L; Liu S; Gao P; Qian H; Xie G; Ma F
Eur J Med Chem; 2023 Mar; 250():115199. PubMed ID: 36827953
[TBL] [Abstract][Full Text] [Related]
4. Identifying natural product inhibitors against CDK9 enzyme via combined multicomplex-based pharmacophore modeling, interaction studies and molecular dynamics simulations.
Ghosh A; Mukherjee S; Jha PC; Manhas A
Comput Biol Med; 2023 Jul; 161():107055. PubMed ID: 37244149
[TBL] [Abstract][Full Text] [Related]
5. A profound computational study to prioritize the natural compound inhibitors against the
Manhas A; Dubey S; Jha PC
J Biomol Struct Dyn; 2020 Jun; 38(9):2704-2716. PubMed ID: 31304874
[TBL] [Abstract][Full Text] [Related]
6. Identification of the natural compound inhibitors against
Manhas A; Kumar S; Jha PC
J Biomol Struct Dyn; 2022 Jan; 40(1):31-43. PubMed ID: 32794426
[TBL] [Abstract][Full Text] [Related]
7. Noncovalent CDK12/13 dual inhibitors-based PROTACs degrade CDK12-Cyclin K complex and induce synthetic lethality with PARP inhibitor.
Niu T; Li K; Jiang L; Zhou Z; Hong J; Chen X; Dong X; He Q; Cao J; Yang B; Zhu CL
Eur J Med Chem; 2022 Jan; 228():114012. PubMed ID: 34864331
[TBL] [Abstract][Full Text] [Related]
8. Human CDK12 and CDK13, multi-tasking CTD kinases for the new millenium.
Greenleaf AL
Transcription; 2019 Apr; 10(2):91-110. PubMed ID: 30319007
[TBL] [Abstract][Full Text] [Related]
9. Characterization of human cyclin-dependent kinase 12 (CDK12) and CDK13 complexes in C-terminal domain phosphorylation, gene transcription, and RNA processing.
Liang K; Gao X; Gilmore JM; Florens L; Washburn MP; Smith E; Shilatifard A
Mol Cell Biol; 2015 Mar; 35(6):928-38. PubMed ID: 25561469
[TBL] [Abstract][Full Text] [Related]
10. Identifying non-nucleoside inhibitors of RNA-dependent RNA-polymerase of SARS-CoV-2 through per-residue energy decomposition-based pharmacophore modeling, molecular docking, and molecular dynamics simulation.
Aziz S; Waqas M; Mohanta TK; Halim SA; Iqbal A; Ali A; Khalid A; Abdalla AN; Khan A; Al-Harrasi A
J Infect Public Health; 2023 Apr; 16(4):501-519. PubMed ID: 36801630
[TBL] [Abstract][Full Text] [Related]
11. Computational investigation of potent inhibitors against SARS-CoV-2 2'-O-methyltransferase (nsp16): Structure-based pharmacophore modeling, molecular docking, molecular dynamics simulations and binding free energy calculations.
Shi L; Wen Z; Song Y; Wang J; Yu D
J Mol Graph Model; 2022 Dec; 117():108306. PubMed ID: 36063745
[TBL] [Abstract][Full Text] [Related]
12. Dual Inhibition of CDK12/CDK13 Targets Both Tumor and Immune Cells in Ovarian Cancer.
Cheng L; Zhou S; Zhou S; Shi K; Cheng Y; Cai MC; Ye K; Lin L; Zhang Z; Jia C; Xiang H; Zang J; Zhang M; Yin X; Li Y; Di W; Zhuang G; Tan L
Cancer Res; 2022 Oct; 82(19):3588-3602. PubMed ID: 35857807
[TBL] [Abstract][Full Text] [Related]
13. Virtual screening and structure-based 3D pharmacophore approach to identify small-molecule inhibitors of SARS-CoV-2 M
Elseginy SA
J Biomol Struct Dyn; 2022; 40(24):13658-13674. PubMed ID: 34676801
[TBL] [Abstract][Full Text] [Related]
14. Search for potentially biased epidermal growth factor receptor (EGFR) inhibitors through pharmacophore modelling, molecular docking, and molecular dynamics (MD) simulation approaches.
Jethwa M; Gangopadhyay A; Saha A
J Biomol Struct Dyn; 2023 Mar; 41(5):1681-1689. PubMed ID: 35014597
[TBL] [Abstract][Full Text] [Related]
15. Multicomplex-based pharmacophore modeling in conjunction with multi-target docking and molecular dynamics simulations for the identification of
Manhas A; Lone MY; Jha PC
J Biomol Struct Dyn; 2019 Oct; 37(16):4181-4199. PubMed ID: 30648473
[No Abstract] [Full Text] [Related]
16. Identification of SARS-CoV-2 RNA dependent RNA polymerase inhibitors using pharmacophore modelling, molecular docking and molecular dynamics simulation approaches.
Pundir H; Joshi T; Pant M; Bhat S; Pandey J; Chandra S; Tamta S
J Biomol Struct Dyn; 2022; 40(24):13366-13377. PubMed ID: 34637693
[TBL] [Abstract][Full Text] [Related]
17. Pharmacophore-guided fragment-based design of novel mammalian target of rapamycin inhibitors: extra precision docking, fingerprint-based 2D and atom-based 3D-QSAR modelling.
Kumar A; Rai S; Rathi E; Agarwal P; Kini SG
J Biomol Struct Dyn; 2021 Mar; 39(4):1155-1173. PubMed ID: 32037974
[TBL] [Abstract][Full Text] [Related]
18. Therapeutic Targeting of CDK12/CDK13 in Triple-Negative Breast Cancer.
Quereda V; Bayle S; Vena F; Frydman SM; Monastyrskyi A; Roush WR; Duckett DR
Cancer Cell; 2019 Nov; 36(5):545-558.e7. PubMed ID: 31668947
[TBL] [Abstract][Full Text] [Related]
19. Discovery of new potential CDK2/VEGFR2 type II inhibitors by fragmentation and virtual screening of natural products.
Vásquez AF; Reyes Muñoz A; Duitama J; González Barrios A
J Biomol Struct Dyn; 2021 Jun; 39(9):3285-3299. PubMed ID: 32362218
[TBL] [Abstract][Full Text] [Related]
20. Discovery of 3-Benzyl-1-( trans-4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-arylurea Derivatives as Novel and Selective Cyclin-Dependent Kinase 12 (CDK12) Inhibitors.
Ito M; Tanaka T; Toita A; Uchiyama N; Kokubo H; Morishita N; Klein MG; Zou H; Murakami M; Kondo M; Sameshima T; Araki S; Endo S; Kawamoto T; Morin GB; Aparicio SA; Nakanishi A; Maezaki H; Imaeda Y
J Med Chem; 2018 Sep; 61(17):7710-7728. PubMed ID: 30067358
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]