200 related articles for article (PubMed ID: 35127160)
1. Discovery of novel selective PI3Kγ inhibitors through combining machine learning-based virtual screening with multiple protein structures and bio-evaluation.
Zhu J; Li K; Xu L; Cai Y; Chen Y; Zhao X; Li H; Huang G; Jin J
J Adv Res; 2022 Feb; 36():1-13. PubMed ID: 35127160
[TBL] [Abstract][Full Text] [Related]
2. Discovery of a novel phosphoinositide 3-kinase gamma (PI3Kγ) inhibitor against hematologic malignancies and theoretical studies on its PI3Kγ-specific binding mechanisms.
Zhu J; Ke K; Xu L; Jin J
RSC Adv; 2019 Jun; 9(35):20207-20215. PubMed ID: 35546906
[TBL] [Abstract][Full Text] [Related]
3. Developing a Naïve Bayesian Classification Model with PI3Kγ structural features for virtual screening against PI3Kγ: Combining molecular docking and pharmacophore based on multiple PI3Kγ conformations.
Jiang Y; Xiong W; Jia L; Xu L; Cai Y; Chen Y; Jin J; Gao M; Zhu J
Eur J Med Chem; 2022 Dec; 244():114824. PubMed ID: 36257282
[TBL] [Abstract][Full Text] [Related]
4. A multi-conformational virtual screening approach based on machine learning targeting PI3Kγ.
Zhu J; Jiang Y; Jia L; Xu L; Cai Y; Chen Y; Zhu N; Li H; Jin J
Mol Divers; 2021 Aug; 25(3):1271-1282. PubMed ID: 34160714
[TBL] [Abstract][Full Text] [Related]
5. Rational Design of Novel Phosphoinositide 3-Kinase Gamma (PI3Kγ) Selective Inhibitors: A Computational Investigation Integrating 3D-QSAR, Molecular Docking and Molecular Dynamics Simulation.
Li K; Zhu J; Xu L; Jin J
Chem Biodivers; 2019 Jul; 16(7):e1900105. PubMed ID: 31111650
[TBL] [Abstract][Full Text] [Related]
6. Investigation into the anti-airway inflammatory role of the PI3Kγ inhibitor JN-PK1: An in vitro and in vivo study.
Xiong W; Jia L; Liang J; Cai Y; Chen Y; Nie Y; Jin J; Zhu J
Int Immunopharmacol; 2022 Oct; 111():109102. PubMed ID: 35964410
[TBL] [Abstract][Full Text] [Related]
7. Targeting phosphatidylinositol 3-kinase gamma (PI3Kγ): Discovery and development of its selective inhibitors.
Zhu J; Li K; Yu L; Chen Y; Cai Y; Jin J; Hou T
Med Res Rev; 2021 May; 41(3):1599-1621. PubMed ID: 33300614
[TBL] [Abstract][Full Text] [Related]
8. Computational study reveals substituted benzimidazole derivatives' binding selectivity to PI3Kδ and PI3Kγ.
Zhang NN; Bai X; Zhao SS; Zheng XM; Tang L; Yang SG; Zhang JQ
J Mol Model; 2022 Apr; 28(5):123. PubMed ID: 35438328
[TBL] [Abstract][Full Text] [Related]
9. Identification of potential PKC inhibitors through pharmacophore designing, 3D-QSAR and molecular dynamics simulations targeting Alzheimer's disease.
Iqbal S; Anantha Krishnan D; Gunasekaran K
J Biomol Struct Dyn; 2018 Nov; 36(15):4029-4044. PubMed ID: 29182053
[TBL] [Abstract][Full Text] [Related]
10. Developing new PI3Kγ inhibitors by combining pharmacophore modeling, molecular dynamic simulation, molecular docking, fragment-based drug design, and virtual screening.
Zhu J; Sun D; Li X; Jia L; Cai Y; Chen Y; Jin J; Yu L
Comput Biol Chem; 2023 Jun; 104():107879. PubMed ID: 37182359
[TBL] [Abstract][Full Text] [Related]
11. Multiple e-pharmacophore modelling pooled with high-throughput virtual screening, docking and molecular dynamics simulations to discover potential inhibitors of Plasmodium falciparum lactate dehydrogenase (PfLDH).
Saxena S; Durgam L; Guruprasad L
J Biomol Struct Dyn; 2019 Apr; 37(7):1783-1799. PubMed ID: 29718775
[TBL] [Abstract][Full Text] [Related]
12. Insight into the selective mechanism of phosphoinositide 3-kinase γ with benzothiazole and thiazolopiperidine γ-specific inhibitors by in silico approaches.
Zhu J; Li K; Xu L; Jin J
Chem Biol Drug Des; 2019 May; 93(5):818-831. PubMed ID: 30582283
[TBL] [Abstract][Full Text] [Related]
13. Structural insights into pharmacophore-assisted in silico identification of protein-protein interaction inhibitors for inhibition of human toll-like receptor 4 - myeloid differentiation factor-2 (hTLR4-MD-2) complex.
Mishra V; Pathak C
J Biomol Struct Dyn; 2019 May; 37(8):1968-1991. PubMed ID: 29842849
[TBL] [Abstract][Full Text] [Related]
14. Exploring PI3Kγ binding preference with Eganelisib, Duvelisib, and Idelalisib via energetic, pharmacophore and dissociation pathway analyses.
Jia L; Wang L; Jiang Y; Xu L; Cai Y; Chen Y; Jin J; Sun H; Zhu J
Comput Biol Med; 2022 Aug; 147():105642. PubMed ID: 35635904
[TBL] [Abstract][Full Text] [Related]
15. Structural effects of morpholine replacement in ZSTK474 on Class I PI3K isoform inhibition: Development of novel MEK/PI3K bifunctional inhibitors.
Van Dort ME; Jang Y; Bonham CA; Heist K; Palagama DSW; McDonald L; Zhang EZ; Chenevert TL; Luker GD; Ross BD
Eur J Med Chem; 2022 Feb; 229():113996. PubMed ID: 34802837
[TBL] [Abstract][Full Text] [Related]
16. A pharmacological model reveals biased dependency on PI3K isoforms for tumor cell growth.
Wang X; Li JP; Yang Y; Ding J; Meng LH
Acta Pharmacol Sin; 2013 Sep; 34(9):1201-7. PubMed ID: 23892273
[TBL] [Abstract][Full Text] [Related]
17. Pharmacophore modeling, multiple docking, and molecular dynamics studies on Wee1 kinase inhibitors.
Hu Y; Zhou L; Zhu X; Dai D; Bao Y; Qiu Y
J Biomol Struct Dyn; 2019 Jul; 37(10):2703-2715. PubMed ID: 30052133
[TBL] [Abstract][Full Text] [Related]
18. Identification of anti-filarial leads against aspartate semialdehyde dehydrogenase of Wolbachia endosymbiont of Brugia malayi: combined molecular docking and molecular dynamics approaches.
Amala M; Rajamanikandan S; Prabhu D; Surekha K; Jeyakanthan J
J Biomol Struct Dyn; 2019 Feb; 37(2):394-410. PubMed ID: 29334340
[TBL] [Abstract][Full Text] [Related]
19. Structural Insights from Molecular Modeling of Isoindolin-1-One Derivatives as PI3Kγ Inhibitors against Gastric Carcinoma.
Ghosh S; Cho SJ
Biomedicines; 2022 Mar; 10(4):. PubMed ID: 35453562
[TBL] [Abstract][Full Text] [Related]
20. Identification of novel PI3Kδ inhibitors by docking, ADMET prediction and molecular dynamics simulations.
Liu YY; Feng XY; Jia WQ; Jing Z; Xu WR; Cheng XC
Comput Biol Chem; 2019 Feb; 78():190-204. PubMed ID: 30557817
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
