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1.
Structure-Based De Novo Design for the Discovery of Miniprotein Inhibitors Targeting Oncogenic Mutant BRAF.
Int J Mol Sci
; 25(10)2024 May 19.
Article
in English
| MEDLINE | ID: mdl-38791574
2.
Structural basis for recognition of the tumor suppressor protein PTPN14 by the oncoprotein E7 of human papillomavirus.
PLoS Biol
; 17(7): e3000367, 2019 07.
Article
in English
| MEDLINE | ID: mdl-31323018
3.
Two-Track Virtual Screening Approach to Identify the Dual Inhibitors of Wild Type and C481S Mutant of Bruton's Tyrosine Kinase.
J Chem Inf Model
; 62(18): 4500-4511, 2022 09 26.
Article
in English
| MEDLINE | ID: mdl-36001093
4.
Structure-Based Virtual Screening and De Novo Design to Identify Submicromolar Inhibitors of G2019S Mutant of Leucine-Rich Repeat Kinase 2.
Int J Mol Sci
; 23(21)2022 Oct 24.
Article
in English
| MEDLINE | ID: mdl-36361616
5.
Quantum Artificial Neural Network Approach to Derive a Highly Predictive 3D-QSAR Model for Blood-Brain Barrier Passage.
Int J Mol Sci
; 22(20)2021 Oct 12.
Article
in English
| MEDLINE | ID: mdl-34681653
6.
Kinase and GPCR polypharmacological approach for the identification of efficient anticancer medicines.
Org Biomol Chem
; 18(41): 8402-8413, 2020 10 28.
Article
in English
| MEDLINE | ID: mdl-33112339
7.
Rational Computational Design of Fourth-Generation EGFR Inhibitors to Combat Drug-Resistant Non-Small Cell Lung Cancer.
Int J Mol Sci
; 21(23)2020 Dec 07.
Article
in English
| MEDLINE | ID: mdl-33297461
8.
Synthesis and biological evaluation of acylthiourea against DUSP1 inhibition.
Bioorg Med Chem Lett
; 29(14): 1746-1748, 2019 07 15.
Article
in English
| MEDLINE | ID: mdl-31103445
9.
Development and application of a comprehensive machine learning program for predicting molecular biochemical and pharmacological properties.
Phys Chem Chem Phys
; 21(9): 5189-5199, 2019 Feb 27.
Article
in English
| MEDLINE | ID: mdl-30775759
10.
Systematic Computational Design and Identification of Low Picomolar Inhibitors of Aurora Kinase A.
J Chem Inf Model
; 58(3): 700-709, 2018 03 26.
Article
in English
| MEDLINE | ID: mdl-29401391
11.
Identification of N-(5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl)acetamide derivatives as novel protein tyrosine phosphatase epsilon inhibitors exhibiting anti-osteoclastic activity.
Bioorg Med Chem
; 26(18): 5204-5211, 2018 10 01.
Article
in English
| MEDLINE | ID: mdl-30249496
12.
The anti-ALS drug riluzole attenuates pericyte loss in the diabetic retinopathy of streptozotocin-treated mice.
Toxicol Appl Pharmacol
; 315: 80-89, 2017 Jan 15.
Article
in English
| MEDLINE | ID: mdl-27939241
13.
Two-track virtual screening approach to identify both competitive and allosteric inhibitors of human small C-terminal domain phosphatase 1.
J Comput Aided Mol Des
; 31(8): 743-753, 2017 Aug.
Article
in English
| MEDLINE | ID: mdl-28653253
14.
Discovery of EGF Receptor Inhibitors That Are Selective for the d746-750/T790M/C797S Mutant through Structure-Based de Novo Design.
Angew Chem Int Ed Engl
; 56(26): 7634-7638, 2017 06 19.
Article
in English
| MEDLINE | ID: mdl-28493467
15.
Identification of novel protein tyrosine phosphatase sigma inhibitors promoting neurite extension.
Bioorg Med Chem Lett
; 26(1): 87-93, 2016 Jan 01.
Article
in English
| MEDLINE | ID: mdl-26602279
16.
The Composite Structure and Two-Peak Emission Behavior of a Ca1.5Ba0.5Si5O3N6:Eu(2+) Phosphor.
Inorg Chem
; 55(5): 2534-43, 2016 Mar 07.
Article
in English
| MEDLINE | ID: mdl-26901127
17.
Investigations on recyclisation and hydrolysis in avibactam mediated serine ß-lactamase inhibition.
Org Biomol Chem
; 14(17): 4116-28, 2016 Apr 26.
Article
in English
| MEDLINE | ID: mdl-27072755
18.
Discovery of Low Micromolar Dual Inhibitors for Wild Type and L1196M Mutant of Anaplastic Lymphoma Kinase through Structure-Based Virtual Screening.
J Chem Inf Model
; 56(4): 802-10, 2016 04 25.
Article
in English
| MEDLINE | ID: mdl-27014917
19.
Extended solvent-contact model approach to blind SAMPL5 prediction challenge for the distribution coefficients of drug-like molecules.
J Comput Aided Mol Des
; 30(11): 1019-1033, 2016 11.
Article
in English
| MEDLINE | ID: mdl-27448686
20.
Discovery of Dual Inhibitors for Wild Type and D816V Mutant of c-KIT Kinase through Virtual and Biochemical Screening of Natural Products.
J Nat Prod
; 79(2): 293-9, 2016 Feb 26.
Article
in English
| MEDLINE | ID: mdl-26807861