Ahmed L. Alaofi
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View article: Inhibition of MERS-CoV papain-like protease by sunitinib: In vitro and in silico investigations
Inhibition of MERS-CoV papain-like protease by sunitinib: In vitro and in silico investigations Open
Middle East Respiratory Syndrome Coronavirus (MERS-CoV) remains a significant public health threat, with high mortality rates and no approved antiviral therapies. The papain-like protease (PLpro) of MERS-CoV plays a critical role in viral …
View article: Mechanism of the blood-brain barrier modulation by cadherin peptides
Mechanism of the blood-brain barrier modulation by cadherin peptides Open
Aim: This study was aimed at finding the binding site on the human E-cadherin for Ala-Asp-Thr Cyclic 5 (ADTC5), ADTC7, and ADTC9 peptides as blood-brain barrier modulator (BBBM) for determining their mechanism of action in modulating the b…
View article: Utilizing sinapic acid as an inhibitory antiviral agent against MERS-CoV PLpro
Utilizing sinapic acid as an inhibitory antiviral agent against MERS-CoV PLpro Open
View article: RETRACTED: Alhakamy et al. Thymoquinone-Loaded Soy-Phospholipid-Based Phytosomes Exhibit Anticancer Potential against Human Lung Cancer Cells. Pharmaceutics 2020, 12, 761
RETRACTED: Alhakamy et al. Thymoquinone-Loaded Soy-Phospholipid-Based Phytosomes Exhibit Anticancer Potential against Human Lung Cancer Cells. Pharmaceutics 2020, 12, 761 Open
The journal retracts the article, “Thymoquinone-Loaded Soy-Phospholipid-Based Phytosomes Exhibit Anticancer Potential against Human Lung Cancer Cells” [...]
View article: Evaluation of the Physicochemical and Antimicrobial Properties of Nanoemulsion-Based Polyherbal Mouthwash
Evaluation of the Physicochemical and Antimicrobial Properties of Nanoemulsion-Based Polyherbal Mouthwash Open
A nanoemulsion-based polyherbal mouthwash (PHFX) of Curcuma longa hydroalcoholic extract was developed and evaluated for its antibacterial effects against a variety of Gram-positive and Gram-negative oral pathogens in comparison to …
View article: Retraction Note: Optimization of Thymoquinone-Loaded Coconut Oil Nanostructured Lipid Carriers for the Management of Ethanol-Induced Ulcer
Retraction Note: Optimization of Thymoquinone-Loaded Coconut Oil Nanostructured Lipid Carriers for the Management of Ethanol-Induced Ulcer Open
View article: Identification of Doxorubicin as Repurposing Inhibitory Drug for MERS-CoV PLpro
Identification of Doxorubicin as Repurposing Inhibitory Drug for MERS-CoV PLpro Open
Middle East respiratory syndrome coronavirus (MERS-CoV), belonging to the betacoronavirus genus can cause severe respiratory illnesses, accompanied by pneumonia, multiorgan failure, and ultimately death. CoVs have the ability to transgress…
View article: IL-2 Flexible Loops Might Play a Role in IL-2 Interaction with the High-Affinity IL-2 Receptor: A Molecular Dynamics (MD) Study
IL-2 Flexible Loops Might Play a Role in IL-2 Interaction with the High-Affinity IL-2 Receptor: A Molecular Dynamics (MD) Study Open
The clinical use of high-dose IL-2 in cancer immunotherapy faces several drawbacks such as toxicity and unfavorable pharmacokinetic profile. These drawbacks can be avoided by inhibiting IL-2 interaction with the CD25 subunit, which is a co…
View article: Assessment of Physicochemical, Anticancer, Antimicrobial, and Biofilm Activities of N-Doped Graphene
Assessment of Physicochemical, Anticancer, Antimicrobial, and Biofilm Activities of N-Doped Graphene Open
Nanomedicine has been used as a precise treatment for many diseases. The advantage of using nanodrugs is that they have more permeability and less toxicity to cells, which enhances the drug delivery system. Graphene is well known for its p…
View article: Sinapic Acid Ameliorates Acetic Acid-Induced Ulcerative Colitis in Rats by Suppressing Inflammation, Oxidative Stress, and Apoptosis
Sinapic Acid Ameliorates Acetic Acid-Induced Ulcerative Colitis in Rats by Suppressing Inflammation, Oxidative Stress, and Apoptosis Open
Background: Ulcerative colitis (UC) is a long-term condition which results in inflammation and ulcers of the colon and rectum. The key indications of active disease are abdominal pain and diarrhea mixed with blood. Aims: We explore the und…
View article: The Glu143 Residue Might Play a Significant Role in T20 Peptide Binding to HIV-1 Receptor gp41: An In Silico Study
The Glu143 Residue Might Play a Significant Role in T20 Peptide Binding to HIV-1 Receptor gp41: An In Silico Study Open
Despite the enormous efforts made to develop other fusion inhibitors for HIV, the enfuvirtide (known as T20) peptide is the only approved HIV-1 inhibitory drug so far. Investigating the role of potential residues of the T20 peptide’s confo…
View article: Ketoconazole-Loaded Cationic Nanoemulsion: <i>In Vitro</i>–<i>Ex Vivo</i>–<i>In Vivo</i> Evaluations to Control Cutaneous Fungal Infections
Ketoconazole-Loaded Cationic Nanoemulsion: <i>In Vitro</i>–<i>Ex Vivo</i>–<i>In Vivo</i> Evaluations to Control Cutaneous Fungal Infections Open
An attempt has been made to optimize ketoconazole (KTZ)-loaded cationic nanoemulsion for topical delivery followed by in vitro, ex vivo, and in vivo evaluations. Central composite design suggested a total of 13 outcome…
View article: Antifungal Cationic Nanoemulsion Ferrying Miconazole Nitrate with Synergism to Control Fungal Infections:<i>In Vitro</i>,<i>Ex Vivo</i>, and<i>In Vivo</i>Evaluations
Antifungal Cationic Nanoemulsion Ferrying Miconazole Nitrate with Synergism to Control Fungal Infections:<i>In Vitro</i>,<i>Ex Vivo</i>, and<i>In Vivo</i>Evaluations Open
This study aimed to deliver a cationic nanoemulsion carrying miconazole nitrate (MCN) to control fungal infections using excipients for synergism. Peceol (oil) and labrasol (surfactant) were selected based on maximum solubility and zone of…
View article: Erratum to “Copper(ii) complexes supported by modified azo-based ligands: Nucleic acid binding and molecular docking studies”
Erratum to “Copper(ii) complexes supported by modified azo-based ligands: Nucleic acid binding and molecular docking studies” Open
Article Erratum to “Copper(ii) complexes supported by modified azo-based ligands: Nucleic acid binding and molecular docking studies” was published on January 1, 2022 in the journal Open Chemistry (volume 20, issue 1).
View article: Copper(ii) complexes supported by modified azo-based ligands: Nucleic acid binding and molecular docking studies
Copper(ii) complexes supported by modified azo-based ligands: Nucleic acid binding and molecular docking studies Open
Two new copper( ii ) complexes [CuL 1 ] ( 1 ) and [CuL 2 ] ( 2 ) derived from azo-based ligands 2-hydroxy-5- p -tolylazo-benzaldehyde (HL 1 ) and 1-(2-hydroxy-5- p -tolylazo-phenyl)-ethan-one (HL 2 ) were synthesized. These two ligands and…
View article: Mutations of SARS-CoV-2 RBD May Alter Its Molecular Structure to Improve Its Infection Efficiency
Mutations of SARS-CoV-2 RBD May Alter Its Molecular Structure to Improve Its Infection Efficiency Open
The receptor-binding domain (RBD) of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) mediates the viral–host interaction and is a target for most neutralizing antibodies. Nevertheless, SARS-CoV-2 RBD mutations pose a threat du…
View article: Molecular docking studies of HIV TAT and sitagliptin nano-formula as potential therapeutic targeting SARS-CoV2 protease
Molecular docking studies of HIV TAT and sitagliptin nano-formula as potential therapeutic targeting SARS-CoV2 protease Open
View article: Repurposing of Sitagliptin- Melittin Optimized Nanoformula against SARS-CoV-2; Antiviral Screening and Molecular Docking Studies
Repurposing of Sitagliptin- Melittin Optimized Nanoformula against SARS-CoV-2; Antiviral Screening and Molecular Docking Studies Open
The outbreak of the COVID-19 pandemic in China has become an urgent health and economic challenge. The objective of the current work was to evaluate the efficacy of the combined complex of Sitagliptin (SIT) with melittin (MEL) against SARS…
View article: Evaluation of the Antiviral Activity of Sitagliptin-Glatiramer Acetate Nano-Conjugates against SARS-CoV-2 Virus
Evaluation of the Antiviral Activity of Sitagliptin-Glatiramer Acetate Nano-Conjugates against SARS-CoV-2 Virus Open
The outbreak of the COVID-19 pandemic in China has become an urgent health and economic challenge. There is a current race for developing strategies to treat and/or prevent COVID-19 worldwide. Severe acute respiratory syndrome coronavirus …
View article: Exploring structural dynamics of the MERS-CoV receptor DPP4 and mutant DPP4 receptors
Exploring structural dynamics of the MERS-CoV receptor DPP4 and mutant DPP4 receptors Open
Mouse DPP4 (mDPP4) receptor is not a functional receptor for MERS-CoV while human DPP4 (hDPP4) is, despite the high similarities between hDPP4 and mDPP4 receptors. The variability of DPP4 receptors against MERS-CoV is not fully investigate…
View article: RETRACTED: Thymoquinone-Loaded Soy-Phospholipid-Based Phytosomes Exhibit Anticancer Potential against Human Lung Cancer Cells
RETRACTED: Thymoquinone-Loaded Soy-Phospholipid-Based Phytosomes Exhibit Anticancer Potential against Human Lung Cancer Cells Open
Thymoquinone (TQ), a natural polyphenol, has been associated with various pharmacological responses; however, low bioavailability of TQ limits its clinical application. Thus, a novel phytosomal delivery system of TQ-Phospholipon® 90H compl…
View article: Correction to: Optimization of Thymoquinone-Loaded Coconut Oil Nanostructured Lipid Carriers for the Management of Ethanol-Induced Ulcer
Correction to: Optimization of Thymoquinone-Loaded Coconut Oil Nanostructured Lipid Carriers for the Management of Ethanol-Induced Ulcer Open
View article: Sinapic Acid Ameliorates the Progression of Streptozotocin (STZ)-Induced Diabetic Nephropathy in Rats via NRF2/HO-1 Mediated Pathways
Sinapic Acid Ameliorates the Progression of Streptozotocin (STZ)-Induced Diabetic Nephropathy in Rats via NRF2/HO-1 Mediated Pathways Open
Diabetic neuropathy (DN) is a complicated inauspicious outcome of diabetes, like other abnormalities of diabetes the cause of DN is still vague and it may be the result of various pathological conditions leading up to end-stage renal failu…
View article: Piceatannol-Loaded Emulsomes Exhibit Enhanced Cytostatic and Apoptotic Activities in Colon Cancer Cells
Piceatannol-Loaded Emulsomes Exhibit Enhanced Cytostatic and Apoptotic Activities in Colon Cancer Cells Open
Piceatannol (PIC), a naturally occurring polyphenolic stilbene, has pleiotropic pharmacological activities. It has reported cytotoxic activities against different cancer cells. In the present study, PIC emulsomes (PIC-E) were formulated an…
View article: Probing the flexibility of Zika virus envelope protein DIII epitopes using molecular dynamics simulations
Probing the flexibility of Zika virus envelope protein DIII epitopes using molecular dynamics simulations Open
Zika virus (ZIKV) envelope protein (E) domain III (DIII) mediates viral attachment and fusion. The DIII facilitates cell receptor recognition, and includes several ZIKV antibody epitopes. The DIII is also considered as an antigenic target …
View article: Comparison of Linear and Cyclic His-Ala-Val Peptides in Modulating the Blood-Brain Barrier Permeability: Impact on Delivery of Molecules to the Brain
Comparison of Linear and Cyclic His-Ala-Val Peptides in Modulating the Blood-Brain Barrier Permeability: Impact on Delivery of Molecules to the Brain Open
View article: Probing the interaction between cHAVc3 peptide and the EC1 domain of E-cadherin using NMR and molecular dynamics simulations
Probing the interaction between cHAVc3 peptide and the EC1 domain of E-cadherin using NMR and molecular dynamics simulations Open
The goal of this work is to probe the interaction between cyclic cHAVc3 peptide and the EC1 domain of human E-cadherin protein. Cyclic cHAVc3 peptide (cyclo(1,6)Ac-CSHAVC-NH2) binds to the EC1 domain as shown by chemical shift p…
View article: Delivering Molecules to the Brain using Blood-Brain Barrier Modulators: Mechanism of Action and Activity of Cyclic and Linear Peptides from E-cadherin
Delivering Molecules to the Brain using Blood-Brain Barrier Modulators: Mechanism of Action and Activity of Cyclic and Linear Peptides from E-cadherin Open
Delivering Molecules to the Brain using Blood-Brain Barrier Modulators: Mechanism of Action and Activity of Cyclic and Linear Peptides from E-cadherin Ahmed L. Alaofi The University of Kansas, 2015 The goals of this work are to (a) compare…