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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 FROM AUTHOR]

Tomatoes are consumed worldwide as fresh vegetables because of their high contents of essential nutrients and antioxidant-rich phytochemicals. Tomatoes contain minerals, vitamins, proteins, essential amino acids (Leucine, Threonine, Valine, Histidine, Lysine, Arginine), monounsaturated fatty acids (Linoleic and Linolenic Acids), Carotenoids (Lycopene and β-Carotenoids) and Phytosterols (β-Sitosterol, Campesterol and Stigmasterol). GCMS analysis revealed the presence of 3-methylheptane, Ethylcyclohexane, 2-Methyl-4,6-octadiyn-3-one, 5,6-Dimethylundecane, (3E)3- Hexen-2-one, 2,2-Dimethylbutane, 1,2-Diphenyl-1-butanone, Isopropylbenzene (2-phenylpropane), 3,5-Dimethyloctane, 2-Phenyl-3-buten-1-ol, 2,4,4-Trimethylhexane, Benzoylcarboxaldehyde (Phenylglyoxal), Cis-3-Methyl-Endo-Tricyclo [5.2.1.0(2.6)] Decane, 2,4-Dimethylhexan-3-One, Benzene acetic acid,2-phenylethyl ester, Cyclopentacycloheptene, 2,3-Heptanedione, 1,6- Methano[10] annulene, 1-Naphthaleneacetic acid, methyl ester, N,N-Dimethylmethanesulfonamide, Methyl tridecanoate, Cis 9-Octadecanoic acid, Methyl 15-methylheptadecanoate, 9-Octadecenoic acid, Methyl (Z)-octadec-9-enoate, (Z)-octadec-9-enamide, Methyl 2-ethyl-2-methylicosanoate, 1,2,3,4,4a,5,6,7,8,9,10,11,12,12a-tetradecahydrobenzo [10] annulene Caffeic acid, Catechin, Chlorogenic acid, Chrysin, Cinnamic acid, Epicatechin, Ferulic acid, Kaempferol, Luteolin, Lycopene, Naringenin, P-coumaric acid, Phloretic acid, Quercetin, Resveratrol, Rutin, Sinapic acid, Vanillic acid. Lycopene, the main dietary carotenoid in tomato and tomato-based food products and lycopene consumption by humans has been reported to protect against Cancer, Cardiovascular Diseases, Cognitive function and Osteoporosis. Among phenolic compounds present in tomato, Quercetin, Kaempferol, Naringenin, Caffeic Acid and Lutein are the most common. These compounds have significant antioxidant properties and are effective in protecting human body against oxidative stress-related diseases. [ABSTRACT FROM AUTHOR]

Palmitic Acid (PA) is known to exert multiple fundamental biological functions at cellular and tissue levels and its steady concentration is guaranteed by its endogenous synthesis by DNL. PA has been for a long time negatively represented for its detrimental health effects tailing its essential physiological attributes. PA has been portrayed to serve as a signalling molecule regulating the progression and development of many diseases at molecular level. Controversial data on the association of dietary PA with detrimental health effects has been related to several parameters such as fatty acid/macronutrient imbalance by altered lipid metabolism, positive energy balance, excessive intake of carbohydrates, imbalance of dietary PA/PUFA, physiopathological conditions, presence of enhanced DNL and sedentary lifestyle. This may result in dyslipidemia, hyperglycemia, increased ectopic fat accumulation and increased inflammatory tone indicating that clear understanding of system based PA metabolism is still lacking. In the present study an attempt has been made to bring out the absorption, distribution, metabolism, elimination and toxicity profile of PA. Results are expected to have some implications in elucidating the molecular mechanisms that regulates pathophysiological events involved in hyperglycemia/hyperlipidemia-induced complications associated with diabesity and CVD. Besides it may provide a better understanding to identify key molecular targets for therapeutic management of PA induced metabolic disorders. [ABSTRACT FROM AUTHOR]

In order to achieve the multi-claim products required for dental-health-care and hygiene, it is indispensable for the formulator to use a wide range of ingredients however, with the advent of technology the chemically synthesised products are not of demand in the market as they have side effects and are considered to unsafe for human use. This places quite a number of demands on the use of PBNPs in the development process. Use of PBNPs innovations in the areas of pharmaceutical technology have contributed significantly to the formulation of dental-health-care products with superior efficacy as well as other attributes that may contribute to clinical response and patient acceptability. Improved clinical efficacy and tolerability, along with conditioning signals, should encourage patient compliance with oral hygiene. Cuminum cyminum seeds are being habitually used in traditional cuisines of different cultures. In India, it is used in both whole and ground form as a traditional ingredient to make dishes without perceptive medicinal knowledge/properties behind. In Kerala, decoction of cumin seeds is used for drinking (Jeera water). In Tamilnadu, cumin seeds are the key ingredient of Rasam. Fruit of Solanum lycopersicum is one of the important savoury vegetable used in traditional Indian cuisines. The oil of Cocos nucifera fruits are used in cooking in Kerala and TamilNadu. In the present study, composition (paste) prepared by mixing of 2 drops of S. lycopersicum fruit juice, 2 drops of C. nucifera and 1g of C. cyminum seed powder were tested on 100 subjects with felt bad breath. Results of the present study was found to be effective in controlling bad breath (odour) in 74 subjects after the treatment (period of clinical trial) except 09 of 83 subjects who were diabetic. [ABSTRACT FROM AUTHOR]

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 FROM AUTHOR]