Publications

Among the various types of cancer, lung cancer is the second most-diagnosed cancer worldwide. The kinesin spindle protein, Eg5, is a vital protein behind bipolar mitotic spindle establishment and maintenance during mitosis. Eg5 has been reported to contribute to cancer cell migration and angiogenesis impairment and has no role in resting, non-dividing cells. Thus, it could be considered as a vital target against several cancers, such as renal cancer, lung cancer, urothelial carcinoma, prostate cancer, squamous cell carcinoma, etc. In recent years, fungal secondary metabolites from the Indian Himalayan Region (IHR) have been identified as an important lead source in the drug development pipeline. Therefore, the present study aims to identify potential mycotic secondary metabolites against the Eg5 protein by applying integrated machine learning, chemoinformatics based in silico-screening methods and molecular dynamic simulation targeting lung cancer. Initially, a library of 1830 mycotic secondary metabolites was screened by a predictive machine-learning model developed based on the random forest algorithm with high sensitivity (1) and an ROC area of 0.99. Further, 319 out of 1830 compounds screened with active potential by the model were evaluated for their drug-likeness properties by applying four filters simultaneously, viz., Lipinski’s rule, CMC-50 like rule, Veber rule, and Ghose filter. A total of 13 compounds passed from all the above filters were considered for molecular docking, functional group analysis, and cell line cytotoxicity prediction. Finally, four hit mycotic secondary metabolites found in fungi from the IHR were screened viz., (−)-Cochlactone-A, Phelligridin C, Sterenin E, and Cyathusal A. All compounds have efficient binding potential with Eg5, containing functional groups like aromatic rings, rings, carboxylic acid esters, and carbonyl and with cell line cytotoxicity against lung cancer cell lines, namely, MCF-7, NCI-H226, NCI-H522, A549, and NCI H187. Further, the molecular dynamics simulation study confirms the docked complex rigidity and stability by exploring root mean square deviations, root mean square fluctuations, and radius of gyration analysis from 100 ns simulation trajectories. The screened compounds could be used further to develop effective drugs against lung and other types of cancer.

Abstract Glycation generates advanced glycation end products (AGE) and its intermediates, thus increasing the risk of developing various ailments including diabetes mellitus. Current study was planned to explore the antioxidant and antiglycation potential of selected nuts viz, Juglans regia (Walnut), Prunus dulcis (Almond), Pistacia vera (Pistachio), and Arachis hypogaea (Peanut), locally available and readily consumed in Faisalabad, Pakistan, for their health‐promoting properties. The prepared methanolic extracts of selected nuts were tested for biological activities including the antioxidant and antiglycation potential. The effect of these extracts against oxidation and AGE formation was evaluated by in vitro method using bovine serum albumin (BSA)‐glucose system. Juglans regia , Pistacia vera , and Arachis hypogaea were found rich in phenolics and flavonoids contents with increased reducing potential and least IC 50 due to the DPPH free radical scavenging inhibition. Dose‐ and time‐dependent inhibition of glucose‐induced advanced glycation end‐product (AGE) was exhibited by fruit extracts through in vitro bovine serum albumin (BSA)‐glucose system. Juglans regia and Pistacia vera were predominantly effective in the inhibition of early and intermediary glycation products at different incubation conditions. The study indicated that the extracts of selected nuts possess significant antioxidant capacity and are rich in phenolics and flavonoids, making them useful supplements as an important part of a balanced diet.

At present, organic crops have reached an important boom in a society increasingly interested in the conservation of the environment and sustainability. It is evident that a part of the population in the Western world focuses their concern on how to obtain our food and on doing it in a way that is as respectful as possible with the environment. In this review, we present a compilation of the work carried out with the use of essential oils as an alternative in the fight against different bacteria and fungi that attack crops and related products. Given the collected works, the efficacy of essential oils for their use as pesticides for agricultural use is evident.

Over the years, foodborne pathogens have caused countess health problems and massive financial losses. Therefore, an essential goal for the food industry is to prevent food contamination and the related foodborne illnesses as microbial contamination of food items during their acquiring and distribution processes is still a hygienic issue. Moreover, there is an important movement leading to the pursuit of more natural and safe food supplies and ingredients with a special emphasis on the vegan and vegetarian community; as a result, there has been a resurgence in demand for natural and eco-friendly products as a replacement for synthetic ingredients. In this context, and due to their active substances, macroalgae stand out as they are known for possessing antibacterial qualities among other abilities. Because of this, the current study updates our understanding of microbial pollutants in the food industry and compiles the latest updates on the scientific reports on antimicrobial activity of the edible brown algae species with special attention to the algae Bifurcaria bifurcata, Fucus spiralis, and Ascophyllum nodosum. These species which belong to the Phaeophyceae class and order Fucales are reportedly rich in active compounds and are still an undervalued resource. So, the ability of algal extracts to stop the growth of various significant food pathogens is reviewed herein, while considering their advantageous effects on food safety and quality issues.

Dioxins include polychlorinated dibenzo-p-dioxins (PCDDs), polychlorinated dibenzofurans (PCDFs), and part of polychlorinated biphenyls (PCBs). Only the compounds that are chlorinated at the 2,3,7, and 8 positions have characteristic dioxin toxicity. PCDDs, PCDFs and PCBs accumulate in the food chain due to their high lipophilicity, high stability, and low vapor pressure. They are not metabolized easily; however their hydroxylated metabolites are detected in feces. They cause a wide range of endocrine disrupting effects in experimental animals, wildlife, and humans. Endocrine related effects of PCDDs, PCDFs and PCBs on thyroid hormones, neurodevelopment and reproductive development were referenced. In addition, some studies of contamination of foods, bioaccumulation, dietary exposure assessment, as well as challenges of scientific research in these compounds were reviewed.