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1.
The Unusual Architecture of RNA-Dependent RNA Polymerase (RdRp)'s Catalytic Chamber Provides a Potential Strategy for Combination Therapy against COVID-19.
Molecules
; 28(6)2023 Mar 20.
Artículo
en Inglés
| MEDLINE | ID: mdl-36985777
2.
Co-Binding of JQ1 and Venetoclax Exhibited Synergetic Inhibitory Effect for Cancer Therapy; Potential Line of Treatment for the Waldenström Macroglobulinemia Lymphoma.
Chem Biodivers
; 19(7): e202100845, 2022 Jul.
Artículo
en Inglés
| MEDLINE | ID: mdl-35610180
3.
Coupling of HSP72 α-Helix Subdomains by the Unexpected Irreversible Targeting of Lysine-56 over Cysteine-17; Coevolution of Covalent Bonding.
Molecules
; 25(18)2020 Sep 16.
Artículo
en Inglés
| MEDLINE | ID: mdl-32947765
4.
Revealing the Role of the Arg and Lys in Shifting Paradigm from BTK Selective inhibition to the BTK/HCK Dual inhibition- Delving into the Inhibitory Activity of KIN-8194 Against BTK, and HCK in the Treatment of Mutated ãBTKã
Anticancer Agents Med Chem
; 2023 Feb 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-36752293
5.
Molecular modelling of SdiA protein by selected flavonoid and terpenes compounds to attenuate virulence in Klebsiella pneumoniae.
J Biomol Struct Dyn
; 41(19): 9938-9956, 2023 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-36416609
6.
Enzyme-responsive biomimetic solid lipid nanoparticles for antibiotic delivery against hyaluronidase-secreting bacteria.
Int J Pharm
; 640: 122967, 2023 Jun 10.
Artículo
en Inglés
| MEDLINE | ID: mdl-37084831
7.
Investigation of Simultaneous and Sequential Cooperative Homotropic Inhibitor Binding to the Catalytic Chamber of SARS-CoV-2 RNA-dependent RNA Polymerase (RdRp).
Cell Biochem Biophys
; 81(4): 697-706, 2023 Dec.
Artículo
en Inglés
| MEDLINE | ID: mdl-37658974
8.
Therapeutic Path to Triple Knockout: Investigating the Pan-inhibitory Mechanisms of AKT, CDK9, and TNKS2 by a novel 2-Phenylquinazolinone derivative in Cancer Therapy- An In-Silico Investigation.
Curr Pharm Biotechnol
; 2023 Aug 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-37581526
9.
Multi-catalytic Sites Inhibition of Bcl2 Induces Expanding of Hydrophobic Groove: A New Avenue Towards Waldenström Macroglobulinemia Therapy.
Protein J
; 41(2): 201-215, 2022 04.
Artículo
en Inglés
| MEDLINE | ID: mdl-35237907
10.
Talazoparib Dual-targeting on Poly (ADP-ribose) Polymerase-1 and -16 Enzymes Offers a Promising Therapeutic Strategy in Small Cell Lung Cancer Therapy: Insight from Biophysical Computations.
Cell Biochem Biophys
; 80(3): 495-504, 2022 Sep.
Artículo
en Inglés
| MEDLINE | ID: mdl-35588345
11.
Battling BTK mutants with noncovalent inhibitors that overcome Cys481 and Thr474 mutations in Waldenström macroglobulinemia therapy: structural mechanistic insights on the role of fenebrutinib.
J Mol Model
; 28(11): 355, 2022 Oct 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-36222928
12.
Probing Alterations in MDM2 Catalytic Core Structure Effect of Garcinia Mangostana Derivatives: Insight from Molecular Dynamics Simulations.
Cell Biochem Biophys
; 80(4): 633-645, 2022 Dec.
Artículo
en Inglés
| MEDLINE | ID: mdl-36184717
13.
The antioxidant and antidiabetic potentials of polyphenolic-rich extracts of Cyperus rotundus (Linn.).
J Biomol Struct Dyn
; 40(22): 12075-12087, 2022.
Artículo
en Inglés
| MEDLINE | ID: mdl-34455935
14.
Distinguishing the optimal binding mechanism through reversible and irreversible inhibition analysis of HSP72 protein in cancer therapy.
Comput Biol Med
; 132: 104301, 2021 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-33751994
15.
Covalent Versus Non-covalent Enzyme Inhibition: Which Route Should We Take? A Justification of the Good and Bad from Molecular Modelling Perspective.
Protein J
; 39(2): 97-105, 2020 04.
Artículo
en Inglés
| MEDLINE | ID: mdl-32072438
16.
'Piperazining' the catalytic gatekeepers: unraveling the pan-inhibition of SRC kinases; LYN, FYN and BLK by masitinib.
Future Med Chem
; 11(18): 2365-2380, 2019 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-31516031
17.
Turning to Computer-aided Drug Design in the Treatment of Diffuse Large B-cell Lymphoma: Has it been Helpful?
Anticancer Agents Med Chem
; 19(11): 1325-1339, 2019.
Artículo
en Inglés
| MEDLINE | ID: mdl-30950356
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