Chemical Diversity and Medicinal Potential of Vitex negundo L.: From Traditional Knowledge to Modern Clinical Trials.

BACKGROUND: In Vedic context, Nirgundi (V. negundo) has been utilized for its anti-inflammatory, analgesic, and wound-healing properties. It has been employed to alleviate pain, treat skin conditions, and address various ailments. The plant's leaves, roots, and seeds have all found applications in traditional remedies. The knowledge of Nirgundi's medicinal benefits has been passed down through generations, and it continues to be a part of Ayurvedic and traditional medicine practices in India.

In Silico Evaluation of Natural Flavonoids as a Potential Inhibitor of Coronavirus Disease.

The recent coronavirus disease (COVID-19) outbreak in Wuhan, China, has led to millions of infections and the death of approximately one million people. No targeted therapeutics are currently available, and only a few efficient treatment options are accessible. Many researchers are investigating active compounds from natural plant sources that may inhibit COVID-19 proliferation. Flavonoids are generally present in our diet, as well as traditional medicines and are effective against various diseases. Thus, here, we reviewed the potential of flavonoids against crucial proteins involved in the coronavirus infectious cycle. The fundamentals of coronaviruses, the structures of SARS-CoV-2, and the mechanism of its entry into the host's body have also been discussed. In silico studies have been successfully employed to study the interaction of flavonoids against COVID-19 Mpro, spike protein PLpro, and other interactive sites for its possible inhibition. Recent studies showed that many flavonoids such as hesperidin, amentoflavone, rutin, diosmin, apiin, and many other flavonoids have a higher affinity with Mpro and lower binding energy than currently used drugs such as hydroxylchloroquine, nelfinavir, ritonavir, and lopinavir. Thus, these compounds can be developed as specific therapeutic agents against COVID-19, but need further in vitro and in vivo studies to validate these compounds and pave the way for drug discovery.

Skin appendageal tumors: A 1 year data from a tertiary care institute.

BACKGROUND: Skin appendageal tumors (SAT) are a rare group of tumors that are classified according to their line of appendageal differentiation along eccrine, apocrine, follicular, and sebaceous lines. However, they are relatively uncommon and create diagnostic difficulties for the pathologist. Recognition of malignant transformation adds to the importance of an accurate diagnosis. A paucity of clinicopathological data from the Himalayan region of India, in particular, prompted the conduct of this study. AIM: To study the clinical and histopathological spectrum of SAT during a period of 1 year received at our hospital. MATERIALS AND METHODS: A retrospective study was carried out at the Pathology department of our hospital. All relevant clinical characteristics were noted in addition to the histopathological features. Slides stained with both hematoxylin and eosin and special stains where necessary were used to supplement the diagnoses. RESULTS: A total of 17 cases were diagnosed in 1 year (January 2021 to December 2021) at our institute. The predominant age group was 40-59 years. Females outnumbered males, with a male: female ratio of 0.8:1. The most common location of tumors was in the head and neck (90.90%). The majority of cases were benign (90.90%). The majority of tumors were of follicular differentiation (54.55%). We found one malignant tumor of sebaceous differentiation. CONCLUSION: The clinical presentation is remarkably similar to most SAT. In our study, we found that majority of tumors were benign and located in the head and neck. The importance of an accurate histopathological diagnosis is essential in these tumors to diagnose the malignant counterparts and differentiate them from more common skin tumors with different prognoses.

Functionality of apigenin as a potent antioxidant with emphasis on bioavailability, metabolism, action mechanism and in vitro and in vivo studies: A review.

Numerous diseases such as cancer, diabetes, cardiovascular, neurodegenerative diseases, etc. are linked with overproduction of reactive oxygen species (ROS) and oxidative stress. Apigenin (5,7,4'-trihydroxyflavone) is a widely distributed flavonoid, responsible for antioxidant potential and chelating redox active metals. Being present as glycosides or polymers, the apigenin degrades to variable amount in the digestive tract; during processing, its activity is also reduced due to high temperature or Fe/Cu addition. Although its metabolism remains elusive, enteric absorption occurs sufficiently to reduce plasma indices of oxidant status. Delayed clearance in plasma and slow liver decomposition enhance its systematic bioavailability. Antioxidant mechanism of apigenin includes: oxidant enzymes inhibition, modulation of redox signaling pathways (NF-kB, Nrf2, MAPK, and P13/Akt), reinforcing enzymatic and nonenzymatic antioxidant, metal chelation, and free radical scavenging. DPPH, ORAC, ABTS, and FRAP are the major in vitro methods for determining the antioxidant potential of apigenin, whereas its protective effects in whole and living cells of animals are examined using in vivo studies. Due to limited information on antioxidant potential of apigenin, its in vitro and in vivo antioxidant effects are, therefore, discussed with action mechanism and interaction with the signaling pathways. This paper concludes that apigenin is a potent antioxidant compound to overcome the difficulties related to oxidative stress and other chronic diseases.

Recent trends in microbial flavour Compounds: A review on Chemistry, synthesis mechanism and their application in food.

Aroma and flavour represent the key components of food that improves the organoleptic characteristics of food and enhances the acceptability of food to consumers. Commercial manufacturing of aromatic and flavouring compounds is from the industry's microbial source, but since time immemorial, its concept has been behind human practices. The interest in microbial flavour compounds has developed in the past several decades because of its sustainable way to supply natural additives for the food processing sector. There are also numerous health benefits from microbial bioprocess products, ranging from antibiotics to fermented functional foods. This review discusses recent developments and advancements in many microbial aromatic and flavouring compounds, their biosynthesis and production by diverse types of microorganisms, their use in the food industry, and a brief overview of their health benefits for customers.

Screening of Indian bee pollen based on antioxidant properties and polyphenolic composition using UHPLC-DAD-MS/MS: A multivariate analysis and ANN based approach.

The present investigation aims to examine the polyphenolic composition and antioxidant capacity of bee pollen samples procured from various regions of India. Total phenolic (TPC) and flavonoid (TFC) content ranged from 15.50 ± 1.25-25.63 ± 1.42 mg GAE/g and 9.72 ± 0.28-15.61 ± 0.74 mg RE/g, respectively. Coriander pollen showed the significantly (p < 0.05) higher antioxidant activity than other samples, demonstrated by DPPH radical scavenging activity (93.75 ± 0.05%), ferric reducing antioxidant power (103.98 ± 0.82 mmol Fe2+/g), ABTS+• radical scavenging activity (96.58 ± 0.65%) and metal chelating activity (84.62 ± 4.37%). The observed antioxidant properties were strongly correlated with TPC and effectively predicted using artificial neural network. Sixty polyphenolic compounds including 38 flavonoids and derivatives, 21 phenolic acid and derivatives and one glucosinolates were identified using UHPLC-DAD-MS/MS wherein the presence of daidzein and sinigrin was acknowledged for the first time. Further, principal component analysis identified three principal components, illustrating 91.24% of total variation to differentiate the pollen samples which were also classified by hierarchical cluster analysis.

Encapsulated Food Products as a Strategy to Strengthen Immunity Against COVID-19.

In December 2019, the severe acute respiratory syndrome-related coronavirus 2 (SARS-CoV-2)-a novel coronavirus was identified which was quickly distributed to more than 100 countries around the world. There are currently no approved treatments available but only a few preventive measures are available. Among them, maintaining strong immunity through the intake of functional foods is a sustainable solution to resist the virus attack. For this, bioactive compounds (BACs) are delivered safely inside the body through encapsulated food items. Encapsulated food products have benefits such as high stability and bioavailability, sustained release of functional compounds; inhibit the undesired interaction, and high antimicrobial and antioxidant activity. Several BACs such as ω-3 fatty acid, curcumin, vitamins, essential oils, antimicrobials, and probiotic bacteria can be encapsulated which exhibit immunological activity through different mechanisms. These encapsulated compounds can be recommended for use by various researchers, scientists, and industrial peoples to develop functional foods that can improve immunity to withstand the coronavirus disease 2019 (COVID-19) outbreak in the future. Encapsulated BACs, upon incorporation into food, offer increased functionality and facilitate their potential use as an immunity booster. This review paper aims to target various encapsulated food products and their role in improving the immunity system. The bioactive components like antioxidants, minerals, vitamins, polyphenols, omega (ω)-3 fatty acids, lycopene, probiotics, etc. which boost the immunity and may be a potential measure to prevent COVID-19 outbreak were comprehensively discussed. This article also highlights the potential mechanisms; a BAC undergoes, to improve the immune system.

Supercritical fluid extraction (SCFE) as green extraction technology for high-value metabolites of algae, its potential trends in food and human health.

Application of high-value algal metabolites (HVAMs) in cosmetics, additives, pigments, foods and medicines are very important. These HVAMs can be obtained from the cultivation of micro- and macro-algae. These metabolites can benefit human and animal health in a physiological and nutritional manner. However, because of conventional extraction methods and their energy and the use of pollutant solvents, the availability of HVAMs from algae remains insufficient. Receiving their sustainability and environmental benefits have recently made green extraction technologies for HVAM extractions more desirable. But very little information is available about the technology of green extraction of algae from these HVAM. This review, therefore, highlights the supercritical fluid extraction (SCFE) as principal green extraction technologyand theirideal parameters for extracting HVAMs. In first, general information is provided concerning the HVAMs and their components of macro and micro origin. The review also includes a description of SCFE technology's properties, instrumentation operation, solvents used, and the merits and demerits. Moreover, there are several HVAMs associated with their numerous high-level biological activities which include high-level antioxidant, anti-inflammatory, anticancer and antimicrobial activity and have potential health-beneficial effects in humans since they are all HVAMs, such as foods and nutraceuticals. Finally, it provides future insights, obstacles, and suggestions for selecting the right technologies for extraction.

Curcumin Extraction, Isolation, Quantification and Its Application in Functional Foods: A Review With a Focus on Immune Enhancement Activities and COVID-19.

An entirely unknown species of coronavirus (COVID-19) outbreak occurred in December 2019. COVID-19 has already affected more than 180 million people causing ~3.91 million deaths globally till the end of June 2021. During this emergency, the food nutraceuticals can be a potential therapeutic candidate. Curcumin is the natural and safe bioactive compound of the turmeric (Curcuma longa L.) plant and is known to possess potent anti-microbial and immuno-modulatory properties. This review paper covers the various extraction and quantification techniques of curcumin and its usage to produce functional food. The potential of curcumin in boosting the immune system has also been explored. The review will help develop insight and new knowledge about curcumin's role as an immune-booster and therapeutic agent against COVID-19. The manuscript will also encourage and assist the scientists and researchers who have an association with drug development, pharmacology, functional foods, and nutraceuticals to develop curcumin-based formulations.

Evaluating comparative ß-glucan production aptitude of Saccharomyces cerevisiae, Aspergillus oryzae, Xanthomonas campestris, and Bacillus natto.

ß-glucan is a natural polysaccharide derivative composed of a group of glucose monomers with ß-glycoside bonds that can be synthesized intra- or extra-cellular by various microorganisms such as yeasts, bacteria, and moulds. The study aimed to discover the potential of various microorganisms such as Saccharomyces cerevisiae, Aspergillus oryzae, Xanthomonas campestris, and Bacillus natto in producing ß-glucan. The experimental method used and the data were analyzed descriptively. The four microorganisms above were cultured under a submerged state in Yeast glucose (YG) broth for 120 h at 30 °C with 200 rpm agitation. During the growth, several parameters were examined including total population by optical density, the pH, and glucose contents of growth media. ß-glucan was extracted using acid-alkaline methods from the growth media then the weight was measured. The results showed that S. cerevisiae, A. oryzae X. campestris, and B. natto were prospective for ß-glucans production in submerged fermentation up to 120 h. The highest ß-glucans yield was shown by B. natto (20.38%) with the ß-glucans mass of 1.345 ± 0.08 mg and globular diameter of 600 µm. The highest ß-glucan mass was achieved by A. oryzae of 82.5 ± 0.03 mg with the total population in optical density of 0.1246, a final glucose level of 769 ppm, the pH of 6.67, and yield of 13.97% with a globular diameter of 1400 µm.

Custard Apple (Annona squamosa L.) Leaves: Nutritional Composition, Phytochemical Profile, and Health-Promoting Biological Activities.

Annona squamosa L. (custard apple) belongs to the family Annonaceae and is an important tropical fruit cultivated in the West Indies, South and Central America, Ecuador, Peru, Brazil, India, Mexico, the Bahamas, Bermuda, and Egypt. Leaves of custard apple plants have been studied for their health benefits, which are attributed to a considerable diversity of phytochemicals. These compounds include phenol-based compounds, e.g., proanthocyanidins, comprising 18 different phenolic compounds, mainly alkaloids and flavonoids. Extracts from Annona squamosa leaves (ASLs) have been studied for their biological activities, including anticancer, antidiabetic, antioxidant, antimicrobial, antiobesity, lipid-lowering, and hepatoprotective functions. In the current article, we discussed the nutritional and phytochemical diversity of ASLs. Additionally, ASL extracts were discussed with respect to their biological activities, which were established by in vivo and in vitro experiments. A survey of the literature based on the phytochemical profile and health-promoting effects of ASLs showed that they can be used as potential ingredients for the development of pharmaceutical drugs and functional foods. Although there are sufficient findings available from in vitro and in vivo investigations, clinical trials are still needed to determine the exact effects of ASL extracts on human health.

Ethnomedicinal Plants Used in the Health Care System: Survey of the Mid Hills of Solan District, Himachal Pradesh, India.

The study was performed in the mid hills of the Dharampur region in Solan district of Himachal Pradesh, India. At the study site, a total of 115 medicinal plants were documented (38 trees, 37 herbs, 34 shrubs, 5 climbers, 1 fern, and 1 grass). In the study region, extensive field surveys were performed between March 2020 and August 2021. Indigenous knowledge of wild medicinal plants was collected through questionnaires, discussions, and personal interviews during field trips. Plants with their correct nomenclature were arranged by botanical name, family, common name, habitat, parts used, routes used, and diseases treated. In the present study, the predominant family was Rosaceae, which represented the maximum number of plant species, 10, followed by Asteraceae and Lamiaceae, which represented 8 plant species. The rural inhabitants of the Dharampur region in the Solan district have been using local plants for primary health care and the treatment of various diseases for a longer time. However, information related to the traditional knowledge of medicinal plants was not documented. The rural inhabitants of the Dharampur region reported that the new generation is not so interested in traditional knowledge of medicinal plants due to modernization in society, so there is an urgent need to document ethnomedicinal plants before such knowledge becomes inaccessible and extinct.

Plant-Based Antioxidant Extracts and Compounds in the Management of Oral Cancer.

Oral cancer continues to be a leading cause of death worldwide, and its prevalence is particularly high in developing countries, where people chew tobacco and betel nut on a regular basis. Radiation-, chemo-, targeted-, immuno-, and hormone-based therapies along with surgery are commonly used as part of a treatment plan. However, these treatments frequently result in various unwanted short- to long-term side effects. As a result, there is an urgent need to develop treatment options for oral cancer that have little or no adverse effects. Numerous bioactive compounds derived from various plants have recently attracted attention as therapeutic options for cancer treatment. Antioxidants found in medicinal plants, such as vitamins E, C, and A, reduce damage to the mucosa by neutralizing free radicals found in various oral mucosal lesions. Phytochemicals found in medicinal plants have the potential to modulate cellular signalling pathways that alter the cellular defence mechanisms to protect normal cells from reactive oxygen species (ROS) and induce apoptosis in cancer cells. This review aims to provide a comprehensive overview of various medicinal plants and phytoconstituents that have shown the potential to be used as oral cancer therapeutics.

Chemistry and microbial sources of curdlan with potential application and safety regulations as prebiotic in food and health.

Curdlan - a homopolysaccharide is comprised of glucose using ß-1,3-glycosidic bond and produced by different types of microorganisms as exopolysaccharide. Curdlan gel is stable during freezing and thawing processes which find several applications in food and pharmaceutical industries. It acts as a prebiotic, stabilizer and water-holding, viscosifying and texturing agent. Additionally, curdlan gel is used as a food factor to develop the new products e.g. milk fat substitute, non-fat whipped cream, retorting (freeze-drying) process of Tofu, low-fat sausage, and low-fat hamburger. However, a great variation exists among different countries regarding the regulatory aspects of curdlan as food additives, dietary components or prebiotic substances. Therefore, the present review paper aims to discuss safety issues and the establishment of common guidelines and legislation globally, focusing on the use the applications of curdlan in the food sector including the development of noodles, meat-based products, and fat-free dairy products. This review analyzes and describes in detail the potential of curdlan as a sustainable alternative additive in health and food industries, emphasizing on the chemical composition, production, properties, and potential applications.

Chem-bioinformatics: QSTR studies on TIBO derivatives.

In the present study, effort has been made to develop a mathematical model for the set of 19 (tetrahydromidazo [4,5,1-jk][1,4] benzodizepin-2(1H)-one) (TIBO) derivatives. The biological activity modeled in the present investigation is cytotoxic concentration (log 1/C). To investigate the cytotoxic behavior of TIBO derivatives, classical and nonconventional physicochemical properties are tested separately. Out of the two categories, the classical physicochemical properties play a dominating role in the modeling of cytotoxicity. On the basis of the results obtained and with the help of molecular modeling parameters, we discovered that the molecular property is most responsible for the cytotoxicity of TIBO derivatives.

Analysis of crystallization phenomenon in Indian honey using molecular dynamics simulations and artificial neural network.

Molecular dynamics simulation was performed on sugar profile and moisture content-based mixture systems of six Indian honey samples. Comparative studies were performed to understand the interactive effects of fructose, glucose, sucrose, maltose and water on crystallization. All simulations led to formation of stable crystal but with different interaction energies. Post-simulation analysis showed that Fructose:Glucose of 1.18 formed the most stable crystal with highest van der Waals and electrostatic interactions. The stability of crystal was further validated with least gyration radius (209 ±â€¯1.81 nm2), accessible surface area (4.09 ±â€¯0.04 nm) and root mean square displacement (3.51 ±â€¯0.00261 nm). Results indicated that not only Fructose:Glucose ratio but also sucrose, maltose and water had a significant effect on the overall crystallization process. The simulation data was used to train the artificial neural network which predicted the stability of honey crystallization depending on Fructose:Glucose and Glucose:Water ratios.

SAR and QSAR studies: modelling of new DAPY derivatives.

This work describes QSAR and SAR studies on the inhibition of reverse transcriptase by 31 novel DAPY (diarylpyrimidine) derivatives using both topological and physicochemical properties and molecular modelling parameters along with indicator parameters. The application of a multiple linear regression analysis indicated that a combination of topological and physicochemical descriptors and the indicator parameters yielded a statistically significant model for the prediction of the activity, log 1/C (50% of effective concentration of DAPY derivatives for RTs). The modelling of some new potential DAPY compounds and their maximum active comformers for the inhibition of reverse transcriptase are made by quantum molecular modelling.

QSAR and SAR studies on the reduction of some aromatic nitro compounds by xanthine oxidase.

This work describes QSAR and SAR studies on the reduction of 27 aromatic nitro compounds by xanthine oxidase using both distance-based topological indices and quantum molecular descriptors along with indicator parameters. The application of a multiple linear regression analysis indicated that a combination of distance-based topological indices with the ad hoc molecular descriptors and the indicator parameters yielded a statistically significant model for the activity, log K (the reduction of aromatic nitro compounds by xanthine oxidase). The final selection of a potential aromatic nitro compound for the reduction by xanthine oxidase is made by quantum molecular modeling. We have found that, among the various parameters, the quantum Mulliken charge parameters on the fourth atom or para position relative to the nitro group correlated best with the activity.

Study on supramolecular complexing ability vis-à-vis estimation of pKa of substituted sulfonamides: dominating role of Balaban index (J).

The supramolecular complexing ability vis-à-vis pKa estimation of a large series of 43 sulfonamides was made using a series of molecular descriptors including topological indices. The set of topological indices chosen also contains Balaban (J) and a variety of Balaban type indices: J, Jz, Jm, Jv, Jc, and Jp. The results have shown that the most discriminating Balaban index (J) in multi-parametric regression analysis combined with indicator parameters yields excellent models and also establishes the superiority of the J index over other Balaban type indices. The statistics is improved when one of the indicator parameters is replaced by molar volume (MV). The results are discussed critically using a variety of statistics.