Mohnad Abdalla

• PhD
• PhD at University of Science and Technology of China

Two new sets of thiazolopyrimidines IIa-h, IVa-d were designed, synthesized, and screened for their anticancer activity against MCF-7 breast cancer adenocarcinoma, HCT116 colorectal cancer, and HepG2 hepatic cancer. The safety of the newly synthesized compounds was tested using normal cells (BJ). Compounds IIa, IId, and IVa showed exceptional cytot...

Breast cancer is a major cause of death in women, and various drug therapies are used for its treatment. However, current therapies have many side effects and limitations. Propolis, a resinous product of bee hives, possesses a variety of biological activities, including anticancer and chemo-protective properties. The present study aimed to investig...

The rising threat of multidrug-resistant Mycobacterium tuberculosis (MDR-TB) has intensified the demand for novel therapeutic options. This study utilized a comprehensive computational approach to identify potential inhibitors targeting the DNA gyrase enzyme of M. tuberculosis. A selection of 40 anti-tubercular compounds underwent molecular docking...

The highly increased and global mortality due to cancer has created an urgent need to discover promising targets for its treatment. Where drug repurposing was considered as an attractive approach that can facilitate the lead generation and optimization phases of drug discovery by repurposing existing agents to target diseases other than their prima...

Although medicinal plants have the potential to be used therapeutically, little is known about the bioactive components and environmental stress reactions of the Algerian Saharan plant Pituranthos scoparius. The biological activity, phytochemical composition, adaptability, and molecular docking of the plant were evaluated in this work, along with d...

In this study, we have synthesized imidazo[1,2‐a] pyridine derivatives with NO (EA02) and NH2 (EA03) functional groups. These groups have the advantage of providing sites for future branching to stabilize the molecule in the chosen target environment. The results obtained from our theoretical analyses (density functional theory, molecular orbital a...

Low-grade gliomas (LGG) are malignant brain tumors that arise from the brain’s support cells (glial cells). LGG are the most common kind of central nervous system tumors in children and adolescents, accounting for around half of all cases. Tumor Protein p53 (TP53) regulates or promotes DNA damage and repair via a variety of cell cycle, apoptosis, a...

Human African trypanosomiasis (HAT), a neglected tropical disease endemic to sub-Saharan Africa, faces treatment challenges due to drug-resistant Trypanosoma brucei strains and the need for safer and more effective therapeutic options. This study employed computational approaches, including 3D-similarity search, ADMET predictions, molecular docking...

Diabetes mellitus is a chronic inflammatory syndrome resulting from insulin disbalance in the body. The disease incidence is increasing in a drastic way worldwide and there is a proportional relationship between unhealthy diet-induced oxidative stress and commencement of diabetes. The two most important players in regulating glucose levels are α-am...

5’-Adenosine Monophosphate Protein Kinase (AMPK) is a central protein involved in cellular energy homeostasis, turning on catabolic pathways when the energy level is depleted and inhibiting anabolic pathways utilizing ATP. AMPK is implicated in several diseases including but not limited to diabetes, cancer, and cardiovascular diseases. Regulation o...

Ginsenoside Rh2(S) is well-known for its therapeutic potential against diverse conditions, including some cancers, inflammation , and diabetes. The enzymatic activity of uridine diphosphate glycosyltransferase 51 (UGT51) from Saccharomyces cerevisiae plays a pivotal role in the glycosylation process between UDP-glucose (donor) and protopanaxadiol (...

Background Prunus dulcis possesses various beneficial qualities, including liver-protective, cardio metabolic, antimicrobial, anti inflammatory, and anxiety-reducing properties. Furthermore, the oil is a fantastic moisturizing cream for hair and skin, to it can help prevent stretch marks and ultraviolet-visible spectroscopy damage. These biological...

Background: The prevalence of type 2 diabetes mellitus (T2DM) has increased markedly in recent years. Although traditional medicinal plants and natural products offer promising candidates for antidiabetic drugs, their full potential remains largely underexplored. Objectives: This study aimed to identify antidiabetic phytocompounds from a database o...

Cisplatin (CP) is a common antineoplastic agent used to treat solid tumors. However, nephrotoxicity, seen as acute tubular necrosis and inflammation, is the dose-limiting adverse effect of CP usage [1, 2]. The CP promotes proximal tubule cell necrosis and apoptosis, but it also generates inflammatory alterations that mediate kidney injury (KI). Dos...

Alzheimer’s disease (AD), a neurological disorder, is one of the major reasons for memory loss in the world. AD is characterized by a sequela of cognitive and functional decline caused by brain cell degeneration. Paeoniflorin is a monoterpenoid glycoside found in plants of the Paeoniaceae family, which are known for their medicinal properties inclu...

The tumor-suppressing p-53 binding protein is a crucial protein that is involved in the prevention of cancer via its regulatory effect on a number of cellular processes. Recent evidence indicates that it interacts with a number of other proteins involved in cancer in ways that are not fully understood. An understanding of such interactions could pr...

Background Prunus dulcis possesses various beneficial qualities, including liver-protective, cardio metabolic, antimicrobial, anti-inflammatory, and anxiety-reducing properties. Furthermore, the oil is a fantastic moisturizing cream for hair and skin, to it can help prevent stretch marks and ultraviolet-visible spectroscopy damage. These biological...

Herein, we describe the preparation and characterization of a novel azo dye of pyridyl, namely, (E)-N-(4-hydroxy-3-(pyridin-3-yldiazenyl)phenyl)acetamide (EHPYPA) and its palladium(II) complex. The palladium(II) complex bears the formulation [Pd(EHPYPA)Cl], which is reported by electrospray ionization mass spectrometry, CHN analysis, FT-IR, UV–Vis,...

Microorganisms in the gut and other niches may contribute to carcinogenesis while also altering cancer immune surveillance and therapeutic response. However, determining the impact of genetic variations and interplay with intestinal microbes’ environment is difficult and unanswered. Here, we examined the frequency of thirteen mutant genes that caus...

Alzheimer's Disease (AD) dementia is the number one cause of neurodegenerative dementia in the world. AD is characterized by a sequela of cognitive and functional decline caused by brain cell degeneration. Since AD symptoms are caused by lack of acetylcholine (ACh), symptomatic treatments include donepezil, rivastigmine, or galantamine, used for th...

Over twelve million individuals worldwide suffer from leishmaniasis, and an additional billion people are at risk in places where the disease is prevalent. This work was motivated by the lack of vaccination against leishmaniasis and the shortcomings of current anti-leishmanial treatments. Large compound libraries can be screened using computational...

Human glucose transporters (GLUTs) facilitate the uptake of hexoses into cells. In cancer, the increased proliferation necessitates higher expression of GLUTs, with particular emphasis on GLUT1 and GLUT3. Thus, inhibiting GLUTs holds promise as an anticancer therapy by starving these cells of fuel. Ganoderic acid A (GAA), a triterpene found in Gano...

A novel series of 2-thioxoimidazolidin-4-one was synthesized, with twelve derivatives (6a-7e). These compounds have different functional groups, including CH 3 , OCH 3 , NO 2 , and Cl. The novel compounds were characterized using mass spectra, 1H-NMR, 13 C-NMR, and FT-IR. The antibacterial efficacy of these compounds against Staphylococcus aureus w...

Cyclooxygenase (COX) and Lipoxygenase (LOX) are essential enzymes for arachidonic acid (AA) to eicosanoids conversion. These AA‑derived eicosanoids are essential for initiating immunological responses, causing inflammation, and resolving inflammation. Dual COX/5‑LOX inhibitors are believed to be promising novel anti‑inflammatory agents. They inhibi...

Monkeypox (mpox) outbreak in more than 100 non-endemic countries in 2022 was a serious global health hazard. Once a neglected disease, mpox has become a global public health concern. A42R profilin-like protein from mpox (PDB ID: 4QWO) could be a new lead (target) for drug development. The protein may interact with various (synthetic and natural) li...

Cervical cancer stands as a prevalent gynaecologic malignancy affecting women globally, often linked to persistent human papillomavirus infection. Biomarkers associated with cervical cancer, including VEGF-A, VEGF-B, VEGF-C, VEGF-D, and VEGF-E, show upregulation and are linked to angiogenesis and lymphangiogenesis. This research aims to employ in-s...

In this article, Persea americana aqueous peels extract was used to synthesize silver nanoparticles in a simple and environmentally friendly manner. The properties of synthesized silver nanoparticles (AV-AgNPs) were studied via several techniques, including UV-vis spectroscopy, DLS, TEM, EDX, and FTIR. The UV-Vis spectra analysis revealed that the...

Spinal muscular atrophy (SMA), which results from the deletion or/and mutation in the SMN1 gene, is an autosomal recessive neuromuscular disorder that leads to weakness and muscle atrophy. SMN2 is a paralogous gene of SMN1. SMN2 copy number affects the severity of SMA, but its role in patients treated with disease modifying therapies is unclear. Th...

Diabetes mellitus (DM) remains one of the pivotal diseases that have drawn the attention of researchers recently and during the last few decades. Due to its devastating symptoms, attempts to develop new drugs with mild side effects have resulted in a number of drugs that are functioning through various mechanisms. Among these, Glycogen phosphorylas...

Multitarget strategy of GATA3 and high-grade serous ovarian carcinoma: Where are we now?

Diabetes mellitus is a metabolic disorder characterized by hyperglycaemia caused by defects in insulin synthesis, action, or both. One in every eleven people globally has diabetes, with 90% having type 2 diabetes mellitus (T2DM) https://www.diabetesaustralia.com.au/. According to the World Obesity Federation's World Obesity Atlas 2022, one billion...

The transmembrane glycoprotein angiotensin-converting enzyme 2 (ACE2) is a key component of the renin-angiotensin system (RAS). It was shown to be the receptor of severe acute respiratory syndrome coronavirus 2 in the COVID-19 outbreak (SARS-COV-2). Furthermore, ACE2 aids in the transport of amino acids across the membrane. ACE2 is lost from the me...

The most common cause of respiratory tract illness in newborns and young children is the respiratory syncytial virus (RSV). There is no approved vaccination or specific antiviral medication for RSV infections. Here, an attempt has been made to explore the potential of currently marketed drugs as well as their probable derivatives to improve the pos...

Cyclooxygenase-2 (COX-2) inhibitors are nonsteroidal anti-inflammatory drugs that treat inflammation, pain and fever. This study determined the interaction mechanisms of COX-2 inhibitors and the molecular properties needed to design new drug candidates. Using machine learning and explainable AI methods, the inhibition activity of 1488 molecules was...

Allergies due to honeybee venom (HBV) are reported to be the second most common form of allergy to Hymenoptera venom that occurs after being stung. Indeed, 15-20% of people test IgE positive after being stung. However, accurate data on the incidence of honey bee allergens is missing and estimated to be less than 0.001%. Beekeeping is an ancient and...

Interleukin 1 (IL-1)-mediated tumor microenvironmental inflammation plays a significant role in cancer development. Despite the recognition of interleukin-1β (IL-1β) and its receptor interleukin-1 receptor 1 (IL-1R1) as crucial targets for cancer treatment, their inhibitors have shown limited efficacy in clinical trials. Ganoderma lucidum, a tradit...

Cheminformatics-based discovery of new organoselenium compounds with potential for the treatment of cutaneous and visceral leishmaniasis, Journal of Biomolecular Structure and Dynamics, ABSTRACT Leishmaniasis affects more than 12 million humans globally and a further 1 billion people are at risk in leishmaniasis endemic areas. The lack of a vaccine...

Leishmaniasis affects more than twelve million people globally and a further one billion people are at risk in leishmaniasis endemic areas. The lack of a vaccine for leishmaniasis coupled with the limitations of existing anti-leishmanial therapies prompted this study. Computational techniques have profound applications in screening large libraries...

The goal of the current investigation was to develop a non-pressurized liquid bandage to promote the healing of wounds by using silver sulfadiazine. A three-factor three level box-behnken statistical design was employed to optimize the drug-loaded liquid bandage. Film-forming liquid bandage was developed by using ethyl-cellulose, dibutyl sebacate,...

GPCRs are a family of transmembrane receptors that are profoundly linked to various neurological disorders , among which is Parkinson's disease (PD). PD is the second most ubiquitous neurological disorder after Alzheimer's disease, characterized by the depletion of dopamine in the central nervous system due to the impairment of dopaminergic neurons...

Sepsis is a life-threatening multiple-organ injury caused by disordered host immune response to microbial infection. However, the correlation between gut microbiota dysbiosis and immune indicators remains unexplored. To address this gap in knowledge, we carried out 16 S rDNA sequencing, analyzed clinical fecal samples from children with sepsis (n =...

CD8 + T cells play basic roles in the immune system in a tumor microenvironment (TME) to fight cancer. Several reports have suggested signs of the involvement of tumor protein p53 (TP53) in a complex immune system network. Moreover, our previous research indicated that TP53 orchestrates the polarization and infiltration of macrophages into the TME....

Isoquinoline derivatives having some nucleosidic structural features are considered as candidate choices for effective remediation of the different severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infections and their following disease, the coronavirus disease 2019 (COVID-19). SLL-0197800 is a recently discovered isoquinoline compound w...

Janus kinase 3 (JAK3, NP_000206.2) is a member of the Janus kinase (JAK) family of tyrosine kinases involved in cytokine receptor-mediated intracellular signal transduction JAK/STAT pathway. JAK3 gene variants can lead to autosomal recessive severe combined immunodeficiency (SCID), which is T-cell-negative, B-cell-positive, and NK-cell-negative (OM...

Ovarian Cancer (OC) is a global concern, and according to Globocan 2020 projections, the number of women diagnosed with OC worldwide would increase by over 42% by 2040. The American Cancer Society estimates that 13,270 females will die from OC in 2023. In more developed nations, the 5-year survival rate for OC ranges from 36 to 46%, which is signif...

Metformin is a regularly prescribed and low-cost generic medication. Metformin has been proposed as a target for Dipeptidyl-peptidase 4 (DPP4) expression in various clinical disorders. We provide insilco investigations on molecular docking and dynamic modeling of metformin and DPP4 potential interactions. Moreover, we conducted bioinformatic studie...

The β-lactamase of Pseudomonas aeruginosa is known to degrade β-lactam antibiotics such as penicillins, cephalosporins, monobactams, and carbapenems. With the discovery of an extended-spectrum β-lactamase in a clinical isolate of P. aeruginosa, the bacterium has become multi-drug resistant. In this study, we aim to identify new β-lactamase inhibito...

Adansonia digitata L. is an African tree commonly called baobab. This tree is effectively used in traditional medicine to treat cardiovascular disorders. Hyperlipidemia is a well-known cardiovascular risk factor associated with the increased incidence of mortality worldwide. This study aimed to demonstrate the mechanism of baobab polyphenols in the...

Background Acute necrotizing encephalopathy (ANE) is a devastating neurologic condition that can arise following a variety of systemic infections, including influenza and SARS-Cov-2. The clinical features of COVID-19-associated ANE in pediatric patients based on multi-case data have not yet been described and remain obscure. We reviewed 12 pediatri...

Repurposing natural compounds as inhibitory targets to combat bacterial virulence is an important potential strategy to overcome resistance to traditional antibiotics, in the present study, the antibacterial activity of micro-curcumin and nano-sized curcumin was investigated against four predominant bacterial pathogens, namely, Escherichia coli, Ps...

The current worldwide coronavirus disease epidemic is caused by COVID-19 (SARS-CoV-2), a novel coronavirus structurally linked to the virus that causes severe acute respiratory syndrome (SARS). Many local governments have relaxed public health restrictions as the coronavirus epidemic enters its third year. The majority of the United States populati...

Alzheimer’s disease (AD) is a chronic neurodegenerative condition characterized by progressive cognitive impairment. While the formation of b-amyloid plaques and neurofibrillary tangles are the hallmarks features of AD, the downstream consequence of these byproducts is the disruption of the cholinergic and glutamatergic neural systems. Growing evid...

The SARS-CoV-2 infection activates host kinases and causes high phosphorylation in both the host and the virus. There were around 70 phosphorylation sites found in SARS-CoV-2 viral proteins. Besides, almost 15,000 host phosphorylation sites were found in SARS-CoV-2-infected cells. COVID-19 is thought to enter cells via the well-known receptor Angio...

Cyclooxygenase (COX) and Lipoxygenase (LOX) are essential enzymes for arachidonic acid (AA) to eicosanoids conversion. These AA-derived eicosanoids are essential for initiating immunological responses, causing inflammation, and resolving inflammation. Dual COX/5-LOX inhibitors are believed to be promising novel anti-inflammatory agents. They inhibi...

Determining the amount of microplastics (MPs) in food is key to clarifying their potential toxicity to humans. Here, we collected canned, instant, and salt-dried sea cucumbers Apostichopus japonicus, the most valued sea cucumbers, from Chinese markets to determine their content of MPs. Sea cucumbers contained MPs in the range of 0–4 MP individual−1...

Researchers had difficulty studying pure full-length pMMO due to the solubility problem and loss of enzymatic activity after its elimination from the native membrane. To study pMMO, we performed several bioinformatics tools to analyze the entire structure of it available in the PDB database. We also carried out molecular docking studies to prove th...

Small cell lung cancer (SCLC) is one of the most devastating type of human lung cancer and has a high propensity to metastasize into the brain. Cuproptosis recently has been defined as a copper dependent cell death, offers a new lens to develop the novel copper-based nanostructure inducing cuproptosis for suppressing tumor growth and metastasis. He...

The azo ligand obtained from the diazotization reaction of 2-aminobenzothiazole and 4-nitroaniline yielded a novel series of complexes with Co(II), Ni(II), Cu(II), and Zn(II) ions. The complexes were investigated using spectral techniques such as UV-Vis, FT-IR, 1H and 13C NMR spectroscopic analyses, LC-MS and atomic absorption spectrometry, electri...

A series of novel guanidines (6 a–j) was synthesized from corresponding thioureas using catalytic mercuric chloride in DMF. The synthesized compounds were characterized by spectroscopic techniques and appraised for Jack Bean Urease (JBU) inhibition. All compounds (6 a–j) exhibited strong potential against JBU whilst compound 6 b (IC50=0.0155±0.0008...

The clinical management of multifactorial diseases, especially in neurodegenerative disorders, requires the identification of potent synergistic interactions between therapeutic molecules. In this context, the current study was carried out to evaluate the synergistic inhibitory effect on Acetylcholinesterase activity by Safranin O in combination wi...

Tumor-associated macrophages (TAMs) are an important component of the tumor microenvironment (TME) and have been linked to immunosuppression and poor prognosis. TAMs have been shown to be harmful in ovarian cancer (OC), with a positive correlation between their high levels of tumors and poor overall patient survival. These cells are crucial in the...

Glioblastoma (GBM) is a WHO Grade IV tumor with poor visibility, a high risk of comorbidity, and exhibit limited treatment options. Resurfacing from second-rate glioma was originally classified as either mandatory or optional. Recent interest in personalized medicine has motivated research toward biomarker stratification-based individualized illnes...

The discovery of antiviral approaches to prevent or cure respiratory syncytial virus (RSV) infections is critical, particularly because RSV is one of the most common causes of infant respiratory problems. There is currently no approved vaccination available to treat RSV infections. FDA has approved the drug ribavirin, but it is not sufficient to tr...

In the present study was to determine the anti-inflammatory activity of the aqueous extract of the bark and root of Myrica esculenta and their active phytoconstituents through in vitro and in silico studies. The bioactive phytoconstituent of Myrica esculenta was determined by GC-MS spectroscopy techniques. After that, total phenolic and flavonoid c...

Lam16A is a novel GH16 β-1,3–1,4-lichenase isolated from the genus Caldicellulosiruptor which can utilize untreated carbohydrate components of plant cell walls. Its catalytic module has been characterized that the six carbohydrate-binding modules (CBMs) were queued in the C-terminus, but their roles were still unclear. Here, full-length and CBM-tru...

Massive intra-articular infiltration of proinflammatory macrophages is a prominent feature of rheumatoid arthritis (RA) lesions, which are thought to underlie articular immune dysfunction, severe synovitis and ultimately joint erosion. Here we report an efferocytosis-informed nanoimitator (EINI) for in situ targeted reprogramming of synovial inflam...

Knipholone is an antiplasmodial phytocompound obtained from the roots of Kniphofia foliosa. Despite several available studies, the molecular drug targets of knipholone in P. falciparum remained unknown. Nowadays, in silico techniques are widely used to study the molecular interactions between compounds and proteins as they provide results quickly w...

Th17/Treg imbalance is closely related to the occurrence and development of multiple sclerosis (MS), and the transdifferentiation of Th17 cells into Treg cells may contribute to the resolution of inflammation, presenting a therapeutic strategy for MS. To modulate this phenotypic shift in situ, we report a “Trojan horse”‐like hybrid system, nanocaps...

Lately, nitrogenous heterocyclic antivirals, such as nucleoside-like compounds, oxadiazoles, thiadiazoles, triazoles, quinolines, and isoquinolines, topped the therapeutic scene as promising agents of choice for the treatment of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infections and their accompanying ailment, the coronavir...

Ravenala madagascariensis is a widely known ornamental and medicinal plant, but with a dearth of scientific investigations regarding its phytochemical and pharmacological properties. Hence, these properties were appraised in this study. The DPPH (154.08 ± 2.43 mgTE/g), FRAP (249.40 ± 3.01 mgTE/g), CUPRAC (384.57 ± 1.99 mgTE/g), metal chelating (29....

Objective: Several methods for synthesizing 2-thiohydantoin derivatives have been devised and exploited, and they have found widespread application as antioxidants, antimicrobials, antivirals, and anticancer agents. As a result, we tried to understand the underlying processes of the 2-thiohydantoin derivative's anti-LIHC activity. Methods: We pr...

Mysterious evolution of a new strain of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the Omicron variant, led to a new challenge in the persistent coronavirus disease 2019 (COVID-19) battle. Objecting the conserved SARS-CoV-2 enzymes RNA-dependent RNA polymerase (RdRp) and 3′-to-5′ exoribonuclease (ExoN) together using one liga...

Given the rapid progression of the coronavirus disease 2019 (COVID‐19) pandemic, an ultrafast response was urgently required to handle this major public crisis. To contain the pandemic, investments are required to develop diagnostic tests, prophylactic vaccines, and novel therapies. Lately, nucleoside analog (NA) antivirals topped the scene as top...

A series of new compounds in which uracil and 3,6-dimethyluracil moieties are bridged with different spacers were prepared and evaluated in vitro for the acetyl- and butyrylcholinesterase (AChE and BChE) inhibitory activities. These bisuracils are shown to be very effective inhibitors of AChE, inhibiting the enzyme at nano- and lower molar concentr...

Since its emergence in 2019, coronavirus infection (COVID-19) has become a global pandemic and killed several million people worldwide. Even though several types of vaccines are available against the COVID-19 virus, SARS-CoV-2, new strains are emerging that pose a constant danger to vaccine effectiveness. In this computational study, we identified...

In present study, we used Olea europaea leaf extract to biosynthesize in situ Copper Oxide nanocrystals (CuO @OVLe NCs) with powerful antibacterial and anti-cancer capabilities. Physio-chemical analyses, such as UV/Vis, FTIR, XRD, EDX, SEM, and TEM, were applied to characterize CuO @OVLe NCs. The UV/Vis spectrum demonstrated a strong peak at 345 nm...