A5050661484- Computational Drug Discovery Methods
- Synthesis and biological activity
- Heat shock proteins research
- Nanoparticle-Based Drug Delivery
- Nanoplatforms for cancer theranostics
- Advanced biosensing and bioanalysis techniques
- X-ray Diffraction in Crystallography
- Metal complexes synthesis and properties
- Crystallization and Solubility Studies
- Cancer Mechanisms and Therapy
- Cholinesterase and Neurodegenerative Diseases
- Nanoparticles: synthesis and applications
- Drug Transport and Resistance Mechanisms
- Alzheimer's disease research and treatments
- HIV/AIDS drug development and treatment
- Melanoma and MAPK Pathways
- Malaria Research and Control
- Enzyme function and inhibition
- Metal-Organic Frameworks: Synthesis and Applications
- Nanopore and Nanochannel Transport Studies
- Viral Infectious Diseases and Gene Expression in Insects
- RNA Interference and Gene Delivery
- Nanocluster Synthesis and Applications
- Hemoglobinopathies and Related Disorders
- Cancer therapeutics and mechanisms
Kuwait University
2018-2023
Cleveland Clinic Lerner College of Medicine
2022
Cleveland Clinic
2022
Cleveland State University
2018
Abstract Sirtuin 2 (SIRT2) is a member of the sirtuin protein family, which includes lysine deacylases that are NAD + -dependent and organize several biological processes. Different forms cancer have been associated with dysregulation SIRT2 activity. Hence, identifying potent inhibitors for has piqued considerable attention in drug discovery community. In current study, Natural Products Atlas (NPAtlas) database was mined to hunt potential utilizing silico techniques. Initially, performance...
Intrinsic enzyme-mimic activity of inorganic nanoparticles has been widely used for nanozymatic anticancer and antibacterial treatment. However, the relatively low peroxidase-mimic (PMA) catalse-mimic (CMA) nanozymes in tumor microenvironment hampered their potential application cancer therapy. Therefore, this study, we aimed to fabricate platinum (Pt) dispersed on surface iron oxide (Fe3O4) nanosphere that, addition boosting PMA CMA, resulted formation a pH-sensitive nano-platform drug...
The main protease (Mpro) is a potential druggable target in SARS-CoV-2 replication. Herein, an silico study was conducted to mine for Mpro inhibitors from toxin sources. A and toxin-target database (T3DB) virtually screened inhibitor activity towards the enzyme utilizing molecular docking calculations. Promising toxins were subsequently characterized using combination of dynamics (MD) simulations mechanics-generalized Born surface area (MM-GBSA) binding energy estimations. According MM-GBSA...
The P-glycoprotein (P-gp/ABCB1) is responsible for a xenobiotic efflux pump that shackles intracellular drug accumulation. Additionally, it included in the dud of considerable antiviral and anticancer chemotherapies because multidrug resistance (MDR) phenomenon. In search prospective drugs inhibit ABCB1 transporter, Natural Product Activity Species Source (NPASS) database, containing >35,000 molecules, was explored identifying inhibitors. performance AutoDock4.2.6 software to anticipate...
The failure of chemotherapy in the treatment carcinoma is mainly due to development multidrug resistance (MDR), which largely caused by overexpression P-glycoprotein (P-gp/ABCB1/MDR1). Until recently, 3D structure P-gp transporter has not been experimentally resolved, restricted discovery prospective inhibitors utilizing silico techniques. In this study, binding energies 512 drug candidates clinical or investigational stages were assessed as potential employing methods. On basis available...
Cancer is a leading cause of death worldwide and affects society in terms the number lives lost. Current cancer treatments are based on conventional chemotherapy which nonspecific targeting cancer. Therefore, intensive efforts underway to better target cancer-specific cells while minimizing side effects healthy tissues by using LDL particles as active drug delivery vehicles. The goal encapsulate anticancer agents thiosemicarbazone metal-ligand complexes into increase cytotoxic effect agent...
Recently, nanomedicine had the potential to increase delivery of active compounds specific cell sites. Nano-LDL particles are recognized as an excellent nano-platform for cancer-targeted delivery. Loading therapeutic agents into nano-LDL achieved by surface loading, core and apolipoprotein-B100 interaction. Therefore, loading particles' with pyrimidine heterocyclic anticancer will cancer cytotoxic activity targeting tubulin protein. First, mimicking native LDL particle's metabolic pathway,...
Background: Heat shock protein 27 (HSP27) and human epidermal growth factor receptor 2 (HER2) are both attractive molecular targets for cancer therapy because of their cellular functions, which proportionally up down regulated in cells. Previously, we synthesized a series compounds known as HSP27 inhibitors using nimesulide drug lead compound. Therefore, our hypothesis is to target with stabilize HER2 through pathway reduce its expression.Methods: Three ovarian cell lines (OVCAR3, SKOV3,...
Tubulin plays essential roles in cell signaling, division, proliferation, and other cellular functions. is a potential target for anticancer agents. The classical tubulin inhibitors have low therapeutic index, multi-drug resistance, induced gene mutations. Therefore, the discovery of alternative critical cancer therapy. study aimed to synthesize sulfonamide derivatives combat breast lung by inhibition mediated mechanism. In present work were synthesized physicochemically characterized terms...
The repurposing strategy of converting nimesulide from an anti-fever drug to anti-cancer agent by modifying its main structure targeting HSP27 is gaining great attention these days. goal this study focuses on synthesizing a new derivative with ligands that have biological activities in different cancer models using the in-vitro assay. Nimesulide L1 was synthesized, characterized 1H NMR, 13C FTIR, melting point, mass spectra, and TGA analysis. A single crystal diffracted showed colorless...
Background: Heat shock protein 27 (HSP27) and human epidermal growth factor receptor 2 (HER2) are both attractive molecular targets for cancer therapy because of their cellular functions, which proportionally up down regulated in cells. Previously, we synthesized a series compounds known as HSP27 inhibitors using nimesulide drug lead compound. Therefore, our hypothesis is to target with stabilize HER2 through pathway reduce its expression. Methods: Three ovarian cell lines (OVCAR3, SKOV3,...
New nimesulide derivatives (A1-A6) were synthesized and investigated by IR, 1H NMR, 13C melting point, elemental analysis, mass spectra, DSC analysis. Agent A3 single crystal was grown solved in a monoclinic system with Cc. Heat shock protein 27 (HSP27) tubulin are essential cellular proteins for normal cell division growth. In addition, these expressed highly cancer cells. Breast (SKBR3) ovarian (SKOV3) lines our models biological assessment. The data revealed that analogs showed high...
Manganese complex of (N'1E,N'3E)-N'1,N'3-bis(2-hydroxybenzylidene)isophthalo-hydrazide [H4L] was designed, spectroscopically analyzed, and confirmed via GC-MS, FTIR, CHNS, UV-VIS, magnetic susceptibility measurements, molar electric conductivity. The data the formation ligand H4L [Mn2(H2L)Cl]Cl.2H2O complex. Ligand acts as a bi-negative hexadentate tetra-negative coordinating through two amide carbonyl, azomethine, deprotonated OH groups. spectral proposed square-planar tetrahedral...
Abstract The synthesis of cinnolines has found great interest due to their diverse biological and industrial potency. Yet, the reported synthetic protocols for showed limitations that involve harsh reaction conditions such as strong acidic or basic medium, low yields, using expensive high loading catalysts. C–H functionalization been recognized intriguing approach aromatic/heteroaromatic scaffolds over past two decades. Here, we a novel metal-catalyzed free photocatalytic polyfunctionally...