ABSTRACT
In-silico Computer-Aided Drug Design (CADD) significantly relies on cybernetic screening of Plant Based Natural Products (PBNPs) as a prime source of bioactive compounds/ drug leads due to their unique chemical structural scaffolds and distinct functional characteristic features amenable to drug design and development. In the Post-COVID-Era a large number of publications have focused on PBNPs. Moreover, PBNPs still remain as an ideal source of novel therapeutic agents of GRAS standard. However, a well-structured, in-depth ADME/Tox profile with deeper dimensions of PBNPs has been lacking for many of natural pharma lead molecules that hamper successful exploitation of PBNPs. In the present study, ADMET-informatics of Octadecanoic Acid (Stearic Acid - SA) from ethyl acetate fraction of Moringa oleifera leaves has been envisaged to predict ADMET and pharmacokinetics (DMPK) outcomes. This work contributes to the deeper understanding of SA as major source of drug lead from Moringa oleifera with immense therapeutic potential. The data generated herein could be useful for the development of SA as plant based natural product lead (PBNPL) for drug development programs.
ABSTRACT
In-silico Computer-Aided Drug Design (CADD) often comprehends virtual screening (VS) of datasets of natural pharmaco-active compounds for drug discovery protocols. Plant Based Natural Products (PBNPs) still, remains to be a prime source of pharmaco-active compounds due to their unique chemical structural scaffolds and functionalities with distinct chemical characteristic feature from natural source that are much acquiescent to drug metabolism and kinetics. In the Post-COVID-Era number of publications pertaining to PBNPs and publicly accessible plant based natural product databases (PBNPDBs) has significantly increased. Moreover, PBNPs are important sources of inspiration or starting points to develop novel therapeutic agents. However, a well-structured, indepth ADME/Tox profile of PBNPs has been limited or lacking for many of such compounds, this hampers the successful exploitation of PBNPs by pharma industries. Absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties play key roles in the discovery/ development of drugs, pesticides, food additives, consumer products, and industrial chemicals. In the present study, ADMET-informatics of Tetradecanoic Acid (Myristic Acid) from ethyl acetate fraction of Moringa oleifera leaves to predict drug metabolism and pharmacokinetics (DMPK) outcomes has been taken up. This work contributes to the deeper understanding of Myristic acid as major source of drug from commonly available medicinal plant - Moringa oleifera with immense therapeutic potential. The data generated herein could be useful for NP based lead generation programs.
ABSTRACT
Coronavirus disease 2019 (COVID-19) continues to devastate the world's health and economy, affecting all aspects of life leading to widespread social disruption. Even as several vaccines have been developed, their availability in developing countries is limited and their efficacy against the variants of SARS-CoV-2 (severe acute respiratory syndrome-coronavirus 2) needs to be continuously assessed. The World Health Organization (WHO) has acknowledged that vaccines alone will not overcome the global challenges of COVID-19. Medicinal plants may provide the needed support. Herein, we identify Philippine medicinal plants that possess phytochemicals with potential anti-SARS-CoV-2 activity and/or immunomodulatory properties that may strengthen one's immune system against COVID-19. These plants were selected from 100 of the best-studied Philippine medicinal plants with antiviral and immunomodulatory properties. The general antiviral and specific anti-SARS-CoV-2 activities and immunomodulatory properties of the phytochemicals that these plants contained were searched. While many compounds assessed individually using in vitro and in silico techniques suggest potential anti-SARS-CoV-2 or immunomodulatory effects, this review sought to identify the medicinal plants which contain these compounds and which, based on literature, have the best potential application against COVID-19. These plants are Allium spp. bulbs (bawang), Andrographis paniculata (Burm.f.) Nees leaves (sinta), Cocos nucifera L. oil (niyog), Euphorbia hirta L. leaves (tawa-tawa), Euphorbia neriifolia L. leaves (sorosoro), Moringa oleifera Lam. leaves (malunggay), Ocimum basilicum L. leaves (balanoy), Piper nigrum L. seeds (paminta), Vitex negundo L. leaves (lagundi), and Zingiber officinale Roscoe rhizome (luya). This review provides a shortlist that can guide research on possible solutions to COVID-19 using Philippine medicinal plants.
ABSTRACT
Plant Based Natural Products (PBNPs) have been subject of interest since ancient time due to their use in food, industrial and biomedical applications. Research attention has further augmented to explore their phytochemical composition, properties, and potential application in the post-COVID era. In the present study phytochemical screening has been carried out with Methanolic Leaf Extracts of Moringa oleifera (MLEMO) followed by Gas Chromatography-Mass Spectrometry (GCMS) analysis. Phytochemical analysis of MLEMO revealed the presence of Alkaloids, Carbohydrates, Coumarins, Flavonoids, Glycosides, Phenol, Proteins, Quinones, Saponins, Steroids, Tannins and Terpenoids. Further, GCMS analysis revealed the presence of 41 compounds of which Dihydroxyacetone;Monomethyl malonate;4H-Pyran-4-one,2,3-dihydro- 3,5-dihydroxy-6-methyl;1,3-Propanediol, 2-ethyl-2-(hydroxymethyl);Propanoic acid, 2- methyl-, octyl ester;3-Deoxy-d-mannoic lactone;Sorbitol;Inositol;Cyclohexanemethanol, alpha-methyl-4-(1-methylethyl), Hexadecanoic acid, Methyl palmitate;n-Hexadecanoic acid (Palmitic acid);9-Octadecenoic acid, methyl ester;Phytol;9,12,15-Octadecatrienoic acid;Octadecanoic acid;9-Octadecenamide were prominent. Most of the compounds in the list are bioactive and possess medicinal properties that are expected to serve as a baseline lead for the development of therapeutic agents.
ABSTRACT
Functional foods and nutraceuticals demand during the Covid-19 pandemic are increasing tremendously. This is showed that there is a shifting food consumption pattern into healthier food rather than only to satisfy hunger. Functional foods are foods that offer health benefits beyond their nutritional value, whereas nutraceuticals are commodities derived from foods, but are used in the medicinal form of pills, capsules, or liquids that demonstrated physiological benefits. Nutraceutical products consist of isolated bioactive substances such as vitamins, minerals, amino acids, and fatty acids as well as dietary supplements such as probiotics, prebiotics, antioxidants, and enzymes. As the second-largest country with the highest biodiversity, Indonesia has some natural resources that could be developed as functional food or nutraceutical ingredients such as ginger, cinnamon, lemongrass, honey, Moringa oleifera leaves, etc. Indonesian society has indigenous knowledge of the health effect of any plants and spices such as the health effect of "jamu", a functional drink made from several parts of plants. However, the development of functional foods and nutraceuticals in Indonesia has so many challenges concerning regulation. The National Agency for Drug and Food Control of Indonesia did not regulate functional foods and nutraceuticals. However, they have some regulations about processed food with the claim, supplements, natural herbal, and food for medicinal uses. Hence, functional foods and nutraceuticals producers must adjust to the existing regulation. The research and development of functional foods and nutraceuticals consist of several steps namely identification of bioactive compounds, assessment of physiological effect, product formulation and processing, and clinical trial to meet the regulatory demand. The research activities will provide scientific evidence to prove food and nutraceutical functionality. Market demands are also important to obtain an innovative product that meets the consumer's demand. Recent methods to develop functional foods and nutraceutical are "design thinking" methods, a method that focuses problem solving on human rather than on technology or organization. The typical design thinking protocol consists of 3 steps namely observation and synthesis, visualization and rapid prototyping, as well as revising and refining. In the first step, nutraceutical developers must understand the characteristic of targeted consumers. In the second step, models or sketches as well as the early version prototypes need to be created. Gathering feedback on the strengths and weaknesses of the product will lead to the necessary corrections before product commercialization. In the third step, a team from many different backgrounds and specializations can be involved to revise and refine the new product. A Penta helix collaboration between academia, industry, citizen, public authorities, and non-government organization (NGO) can be used as a model of networking in functional foods and nutraceuticals development. The use of "design thinking" methods will minimize the risk of product failure in the market. One of our experiences in functional food development is the exploration of glucomannan from Porang tubers (Amorphophalus oncophylus) as a functional ingredient. Glucomannan, a water-soluble fiber that can be fermented, is extracted from Konjac (Amorphophallus konjac) tuber or root. However, in Indonesia glucomannan can be extracted from Porang tuber that can be found in many areas. In the beginning, we collaborate with the local farmer, NGO, and governments to optimize the production of Porang tubers. After we found the method to extract the glucomannan, we develop several food products namely jelly, noodle, rice analog, etc and analyze the physical, chemical, microbiological, and sensory characteristics. The jelly product containing glucomannan was tested for the clinical trial. We found that this jelly could lower the body weight and body mass index of the overweight and obese subjects as well as maintain the level