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"Wahab, Shadma"
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Potential Pharmacological Applications of Nigella Seeds with a Focus on Nigella sativa and Its Constituents against Chronic Inflammatory Diseases: Progress and Future Opportunities
2023
The leading cause of death worldwide has been identified as chronic illnesses, according to the World Health Organization (WHO). Chronic inflammatory conditions such as asthma, cancer, diabetes, heart disease, and obesity account for three out of every five deaths. Although many people benefit from using nonsteroidal anti-inflammatory medicines (NSAIDs) for pain and inflammation relief, there are significant adverse effects to using these medications. Medicinal plants possess anti-inflammatory properties with minimal or no side effects. Nigella sativa (NS), also known as black cumin, is one of the plants used in traditional medicine the most. Many studies on the NS have shown that their therapeutic properties are attributed to the seed, oil, and secondary metabolites. This plant has been studied extensively and has many medical uses, such as anti-inflammatory. NS or its phytochemical compounds, such as thymoquinone, can cause cell apoptosis via oxidative stress, block efflux pumps, enhance membrane permeability, and exert potent biocidal effects. Notwithstanding the extensively documented anti-inflammatory effectiveness observed in the experimental model, the precise mechanisms underlying its anti-inflammatory effects in diverse chronic inflammatory diseases and its multi-targeting characteristics remain largely unexplored. This review examines NS or its secondary metabolites, a valuable source for the therapeutic development of chronic inflammatory diseases. Most clinical studies were done for diabetes and cardiovascular disease; therefore, more studies are required to examine the NS extracts and phytoconstituents to treat cancer, obesity, diabetes, asthma, neurological disorders, and COVID-19. This study will be a significant resource for clinicians and biologists seeking a pharmaceutical solution for inflammatory diseases.
Journal Article
Pharmacological and Clinical Efficacy of Picrorhiza kurroa and Its Secondary Metabolites: A Comprehensive Review
by
Wahab, Shadma
,
Almeleebia, Tahani M.
,
Alsayari, Abdulrhman
in
Acids
,
Ayurvedic medicine
,
biological activity
2022
Traditional remedies for the treatment of various ailments are gaining popularity. Traditionally, one of the most valuable therapeutic herbs has been Picrorhiza kurroa Royle ex Benth. Traditional and folk uses of P. kurroa include chronic constipation, skin-related problems, burning sensation, chronic reoccurring fever, jaundice, heart problems, breathing, digestion, allergy, tuberculosis, blood-related problems, prediabetes and obesity, laxative, cholagogue, and liver stimulatory. Phytoconstituents such as glycosides, alkaloids, cucurbitacins, iridoids, phenolics, and terpenes in P. kurroa have shown promising pharmacological potential. In order to uncover novel compounds that may cure chronic illnesses, such as cardiovascular, diabetes, cancer, respiratory, and hepatoprotective diseases, the screening of P. kurroa is essential. This study comprehensively evaluated the ethnopharmacological efficacy, phytochemistry, pharmacological activity, dose, and toxicity of P. kurroa. This review provides comprehensive insights into this traditional medication for future research and therapeutic application. The purpose of this review article was to determine the pharmacological effects of P. kurroa on a variety of disorders. P. kurroa may be a natural alternative to the standard treatment for eradicating newly evolving diseases. This study is intended as a resource for future fundamental and clinical investigations.
Journal Article
Glycyrrhiza glabra (Licorice): A Comprehensive Review on Its Phytochemistry, Biological Activities, Clinical Evidence and Toxicology
by
Amir, Mohd
,
Abullais, Shahabe Saquib
,
Ahmad, Wasim
in
Alzheimer's disease
,
anticancer
,
Antiinfectives and antibacterials
2021
There are more than 30 species of Glycyrrhiza genus extensively spread worldwide. It was the most prescribed herb in Ancient Egyptian, Roman, Greek, East China, and the West from the Former Han era. There are various beneficial effects of licorice root extracts, such as treating throat infections, tuberculosis, respiratory, liver diseases, antibacterial, anti-inflammatory, and immunodeficiency. On the other hand, traditional medicines are getting the attraction to treat many diseases. Therefore, it is vital to screen the medicinal plants to find the potential of new compounds to treat chronic diseases such as respiratory, cardiovascular, anticancer, hepatoprotective, etc. This work comprehensively reviews ethnopharmacological uses, phytochemistry, biological activities, clinical evidence, and the toxicology of licorice, which will serve as a resource for future clinical and fundamental studies. An attempt has been made to establish the pharmacological effect of licorice in different diseases. In addition, the focus of this review article is on the molecular mechanism of licorice extracts and their four flavonoids (isoliquiritigenin, liquiritigenin, lichalocone, and glabridin) pharmacologic activities. Licorice could be a natural alternative for current therapy to exterminate new emerging disorders with mild side effects. This review will provide systematic insights into this ancient drug for further development and clinical use.
Journal Article
Pharmacological Efficacy of Ginseng against Respiratory Tract Infections
by
Almaghaslah, Dalia
,
Alsayari, Abdulrhman
,
Muhsinah, Abdullatif Bin
in
antibacterial activity
,
Antibiotics
,
antiviral activity
2021
Respiratory tract infections are underestimated, as they are mild and generally not incapacitating. In clinical medicine, however, these infections are considered a prevalent problem. By 2030, the third most comprehensive reason for death worldwide will be chronic obstructive pulmonary disease (COPD), according to the World Health Organization. The current arsenal of anti-inflammatory drugs shows little or no benefits against COPD. For thousands of years, herbal drugs have been used to cure numerous illnesses; they exhibit promising results and enhance physical performance. Ginseng is one such herbal medicine, known to alleviate pro-inflammatory chemokines and cytokines (IL-2, IL-4, IFN-γ, TNF-α, IL-5, IL-6, IL-8) formed by macrophages and epithelial cells. Furthermore, the mechanisms of action of ginsenoside are still not fully understood. Various clinical trials of ginseng have exhibited a reduction of repeated colds and the flu. In this review, ginseng’s structural features, the pathogenicity of microbial infections, and the immunomodulatory, antiviral, and anti-bacterial effects of ginseng were discussed. The focus was on the latest animal studies and human clinical trials that corroborate ginseng’s role as a therapy for treating respiratory tract infections. The article concluded with future directions and significant challenges. This review would be a valuable addition to the knowledge base for researchers in understanding the promising role of ginseng in treating respiratory tract infections. Further analysis needs to be re-focused on clinical trials to study ginseng’s efficacy and safety in treating pathogenic infections and in determining ginseng-drug interactions.
Journal Article
Phytochemicals Daturilinol and Withametelin B identified as novel Bcl2 inhibitors via virtual screening and molecular simulations
2025
B-cell lymphoma 2 (Bcl-2) is a crucial regulatory protein involved in the control of apoptosis. Its overexpression in cancer cells facilitates evasion of programmed cell death, contributing to their survival and resistance to chemotherapy. Consequently, Bcl-2 has emerged as a promising drug target in cancer therapy. There is still ongoing research to find potential drug molecules that target Bcl-2 with higher potency, selectivity, and safety profile. This study was carried out by conducting a virtual screening of phytoconstituents from the IMPPAT database that could potentially inhibit the aberrant activity of Bcl-2. We first excluded compounds that did not abide by the Lipinski rule of five based on their physicochemical properties. We also calculated binding affinities, applied PAINS filters, and performed ADMET and PASS analyses, as well as interaction analyses, to identify compounds that were predicted to be safe and effective. Finally, two compounds, Daturilinol and Withametelin B, were selected because of their high binding and selective binding to Bcl-2. We analyzed these compounds in terms of time evolution by employing molecular dynamics simulation (MDS), principal component analysis (PCA), free energy landscape (FEL), and MM/PBSA. Consequently, we suggest that Daturilinol and Withametelin B could be further investigated
in vitro
and
in vivo
for therapeutic development against cancer.
Journal Article
PEGylated PLGA nanoparticles: unlocking advanced strategies for cancer therapy
by
Kumar, Vishal
,
Gupta, Garima
,
Wahab, Shadma
in
Animals
,
Antineoplastic Agents - administration & dosage
,
Antineoplastic Agents - chemistry
2025
Poly(lactic-co-glycolic acid) (PLGA) is a widely utilized biodegradable and biocompatible polymer in drug delivery systems, particularly for encapsulating drug molecules with poor solubility and permeability. PLGA nanoparticles, composed of polylactic acid (PLA) and polyglycolic acid (PGA), offer tunable properties such as controlled degradation rates and drug release kinetics. The PEGylation of PLGA nanoparticles results in the formation of a polyethylene glycol (PEG) corona on their surface, which enhances systemic circulation by reducing opsonization and immune system recognition. This extended circulation time increases the likelihood of nanoparticles reaching the target site, a crucial advantage in cancer therapy, as it allows for reduced dosage frequency while improving therapeutic efficacy. Furthermore, surface functionalization with targeting ligands enables selective delivery to specific cells or organs via ligand-receptor interactions, facilitating enhanced cellular uptake and intracellular drug release. This review provides a comprehensive analysis of PEGylated PLGA nanoparticles in cancer diagnosis and therapy, highlighting recent advancements, current challenges, and future perspectives in their clinical translation.
Graphical abstract
Journal Article
Curcumin as a potential inhibitor of TGFβ3 computational insights for breast cancer therapy
by
Alshahrani, Mohammad Y.
,
Alshehri, Saad Ali
,
Alkhathami, Ali G.
in
631/114
,
631/67
,
Acute toxicity
2025
Previous research indicates that Transforming growth factor beta-3 (TGFβ3) expression levels correlate with breast cancer metastasis, and elevated TGFβ3 levels have been linked with poor overall survival in breast cancer patients. The study used computational methods to examine curcumin’s effects on TGFβ3, a chemical with antiviral and anticancer characteristics. The curcumin has low Molecular Weight 368.130 (MW) and follows Lipinski Rule, Pfizer Rule, GSK Rule, Golden Triangle, BMS Rule, zero PAINS alert and Acute Toxicity Rule with zero alert. Any drug-like contender must follow these qualities. Through molecular docking analyses, curcumin displayed favourable binding affinities at the TGFβ3 binding pocket, forming key interactions such as hydrogen bonds with residues like ASP323, ARG325, VAL333, HIS334, PRO336, LYS337, GLY393, and ARG394. 500 ns molecular dynamic simulations examined docking interactions. Molecular dynamics (MD) simulations trajectories analysis, by calculating lower structural deviation, minimal residual fluctuations, structural compactness assessment by calculating radius of gyration, surface area calculation which interact with solvent, role of hydrogen bonding, and secondary structural analyses. Furthermore, principal component, Gibbs free energy landscape and MMPBSA analysis, signifying system stability. These data suggest curcumin may inhibit TGFβ3, providing a framework for developing new compounds targeting this protein.
Journal Article
Advancement and New Trends in Analysis of Pesticide Residues in Food: A Comprehensive Review
by
Khan, Mohammad Suhail
,
Dawria, Adam
,
Ahmad, Md Faruque
in
Agriculture
,
analytical techniques
,
Bioaccumulation
2022
Food safety is a rising challenge worldwide due to the expanding population and the need to produce food to feed the growing population. At the same time, pesticide residues found in high concentrations in fresh agriculture pose a significant threat to food safety. Presently, crop output is being increased by applying herbicides, fungicides, insecticides, pesticides, fertilizers, nematicides, and soil amendments. A combination of factors, including bioaccumulation, widespread usage, selective toxicity, and stability, make pesticides among the most toxic compounds polluting the environment. They are especially harmful in vegetables and fruits because people are exposed to them. Thus, it is critical to monitor pesticide levels in fruits and vegetables using all analytical techniques available. Any evaluation of the condition of pesticide contamination in fruits and vegetables necessitates knowledge of maximum residue levels (MRLs). We set out the problems in determining various types of pesticides in vegetables and fruits, including the complexity and the diversity of matrices in biological materials. This review examines the different analytical techniques to determine the target analytes that must be isolated before final consumption. Many processes involved determining pesticide residues in fruits and vegetables and their advantages and disadvantages have been discussed with recommendations. Furthermore, MRLs of target pesticide residues in fruit and vegetable samples are discussed in the context of data from the literature. The review also examines MRLs’ impact on the international trade of fruits and vegetables. Accurate, sensitive, and robust analytical procedures are critical to ensuring that pesticide levels in food products are effectively regulated. Despite advances in detection technology, effective sample preparation procedures for pesticide residue measurement in cereals and feedstuffs are still needed. In addition, these methods must be compatible with current analytical techniques. Multi-residue approaches that cover a wide range of pesticides are desired, even though pesticides’ diverse natures, classes, and physio-chemical characteristics make such methods challenging to assemble. This review will be valuable to food analysts and regulatory authorities to monitor the quality and safety of fresh food products.
Journal Article
Plant-Derived Bioactive Compounds in the Management of Neurodegenerative Disorders: Challenges, Future Directions and Molecular Mechanisms Involved in Neuroprotection
2023
Neurodegenerative disorders encompass a wide range of pathological conditions caused by progressive damage to the neuronal cells and nervous-system connections, which primarily target neuronal dysfunction and result in problems with mobility, cognition, coordination, sensation, and strength. Molecular insights have revealed that stress-related biochemical alterations such as abnormal protein aggregation, extensive generation of reactive oxygen and nitrogen species, mitochondrial dysfunction, and neuroinflammation may lead to damage to neuronal cells. Currently, no neurodegenerative disease is curable, and the available standard therapies can only provide symptomatic treatment and delay the progression of the disease. Interestingly, plant-derived bioactive compounds have drawn considerable attention due to their well-established medicinal properties, including anti-apoptotic, antioxidant, anti-inflammatory, anticancer, and antimicrobial properties, as well as neuroprotective, hepatoprotective, cardioprotective, and other health benefits. Plant-derived bioactive compounds have received far more attention in recent decades than synthetic bioactive compounds in the treatment of many diseases, including neurodegeneration. By selecting suitable plant-derived bioactive compounds and/or plant formulations, we can fine tune the standard therapies because the therapeutic efficacy of the drugs is greatly enhanced by combinations. A plethora of in vitro and in vivo studies have demonstrated plant-derived bioactive compounds’ immense potential, as proven by their capacity to influence the expression and activity of numerous proteins implicated in oxidative stress, neuroinflammation, apoptosis, and aggregation. Thus, this review mostly focuses on the antioxidant, anti-inflammatory, anti-aggregation, anti-cholinesterase, and anti-apoptotic properties of several plant formulations and plant-derived bioactive compounds and their molecular mechanisms against neurodegenerative disorders.
Journal Article
Ecotoxicity assessment and detection of antimicrobial compounds in urban environments and AMR hotspots
2025
Environmental pollution by antimicrobial compounds poses a serious threat to aquatic ecosystems and human health due to their persistence and ability to promote antimicrobial resistance (AMR). This study evaluated the presence of five widely used antibiotics in surface water, groundwater, and wastewater treatment plant effluents from 28 locations in Bengaluru and Mysuru, India: erythromycin, amoxicillin, ciprofloxacin, sulfamethoxazole, and trimethoprim. With concentrations ranging from 0.001 to 20.19 µg/L, ciprofloxacin and sulfamethoxazole were identified at almost every site. High-risk levels (RQ > 1) were found at 23 sites for sulfamethoxazole, 22 for amoxicillin, and 21 for ciprofloxacin, according to risk quotient (RQ) analysis. Several sites showed cumulative high-risk exposure to multiple antibiotics. Low PNEC ENV/MIC ratios were also found at many sites by AMR risk assessment, suggesting a high potential for resistance emergence and spread. In order to lower ecological and public health risks, these findings indicate at significant hotspots of contamination and emphasise the urgent need for enhanced wastewater treatment, focused pollution control measures, and regular monitoring.
Journal Article