Essential oil of Cymbopogon martini, source of geraniol, as a potential antibacterial agent against Bacillus subtilis, a pathogen of the bakery industry

Background: Bacteria can adhere and grow on any surface due to their chemical and physical interaction, leading to the development of biofilms. Essential oils have a great potential for use in the food industry, as they can effectively prevent the presence of some pathogenic microorganisms. Species such as those in the Bacillus genus have the ability to produce toxins. Some strains of Bacillus subtilis have been related to cases of food‐borne diseases. In the bakery industry, B. subtilis also has been related to “rope” disease, linked to bread preservation processes. Methods: The aim of the study was to analyse the antibacterial properties of 24 chemotyped essential oils against the growth of B. subtilis. The biological activity study was carried out using disk diffusion in agar and broth dilution methods. Results: The essential oil of Cymbopogon martinii var. motia had a high geraniol content (>80.53%) and showed a high antimicrobial effect against the Gram-positive bacterium B. subtilis. Binary combinations of Cymbopogon martinii var. motia oil with Eugenia caryophyllus showed antagonistic effects on B. subtilis. Conclusions: The essential oil of Cymbopogon martinii var. motia has an interesting potential use in the bakery industry as a preservative, in applications such as nano encapsulation for bakery doughs, active packaging of baked products, or surface disinfectants.

In-silico ADMET Pharmacoinformatics of Geraniol (3,7-dimethylocta-trans-2,6-dien-1-ol) - acyclic monoterpene alcohol drug from Leaf Essential Oil of Cymbopogon martinii from Sirumalai Hills (Eastern Ghats), INDIA

Cymbopogon martinii is a grass from genus Cymbopogon (lemongrasses) native to India, but widely cultivated in other places for its aromatic essential oil. C. martinii known as Palmarosa smells sweet with rose-like odor. Geraniol, a terpene alcohol present in Cymbopogon martinii essential oil (CMEO) is much valued for its typical aroma and medicinal uses. In addition to the pleasant odor, Geraniol is known for fungicidal, nematicidal, acaricidal, insecticidal, repellent properties hence, used as Natural Pest Control Agent (NPCA) exhibiting low toxicity. Furthermore, geraniol has been suggested to exemplify a new class of chemoprevention agents in the treatment of cancer. Biological activities such as antimicrobial, anti-oxidant, anti-inflammatory and vascular effects have been investigated. In the present study, GCMS based in-silico ADMET pharmacoinformatics aspects (Physicochemical, Lipophilicity, Medicinal Chemistry, Druglikeness, Absorption, Water Solubility, Distribution, Metabolism, Pharmacokinetics, Excretion, Environmental Toxicity, Tox21 Pathway and Toxicophore Rules) with PASS prediction of geraniol from CMEO has been bioprospected from human health perspective point of view. Keywords: GCMS; ADMET; Pharmacoinformatics; Geraniol; Essential Oil; Cymbopogon martinii; Palmarosa; CMEO; PBNPs; Sirumalai Hills; Eastern Ghats

Profile of Bioactive Phyto-compounds in Essential Oil of Cymbopogon martinii from Palani Hills, Western Ghats, INDIA

Worldwide interest in use of plants based natural products (PBNPs) has been growing, and its beneficial effects being rediscovered for the development of novel drugs. Literature survey on indigenous traditional knowledge bestows ethnopharmacological potentials of PBNPs that has inspired current research in drug design and discovery; PBNPs provide baseline for the development of novel drug leads against various pharmacological targets. Studies indicate that Cymbopogon martini Essential Oil (CMEO) exhibit wide range of biological activities such as hepatoprotective, antifungal, insecticide, antioxidant and antibacterial. Pharmacological properties in Palmarosa Essential Oil (PEO) may be due to the presence of compounds like 4-Decen-6-yne, (Z), 2-Ethylimino-4-methyl-pent-3-enenitrile, Dihydrocarvyl acetate, 2-Methylbenzaldehyde, Geranyl butyrate, 1,5,9,9-Tetramethyl-1,4,7-cycloundecatriene. However, its application is limited because of the odor, color and taste. In the present study, GCMS based profile of bioactive phyto-compounds in essential oil of Cymbopogon martinii along with its physiochemical, biological, molecular, pharmacological and drugable properties has been envisaged. Keywords: Cymbopogon martinii Essential Oil (CMEO); Pharmacological Activity; ADMET Properties; Bioactive Compounds; Plant Based Natural Products (PBNPs);

Structure-based assortment of herbal analogues against spike protein to restrict COVID-19 entry through hACE2 receptor: An in-silico approach

On-going global pandemic COVID-19 has spread all over the world and has led to more than 1.97 million deaths till date. Natural compounds may be useful to protecting health in this perilous condition. Mechanism of shuttle entry of SARS-COV-2 virus is by interaction with viral spike protein with human angiotensin-converting enzyme-2 (ACE-2) receptor. To explore potential natural therapeutics, 213 important phytochemi-cals of nine medicinal plants Aconitum heterophyllum, Cassia angustifolia, Cymbopogon flexuosus, Cymbopogon martinii, Nux vomica, Phyllanthus urinaria, Swertia chirayita, Justicia adhatoda, Vetiveria zizanioides were selected for in-silico molecular docking against the spike protein of SARS-COV-2 and compared with recently prescribed drug chloroquine, ramdesivir, lopinavir and hydroxychloroquine. Results revealed that rhamnocitrin of P. urinaria, 1,5-dihydroxy-3,8-dimethoxyxanthone of S. chirayita and laevojunenol of V. zizanioides potentially binds with the receptor binding site of SARS-COV-2 spike glycoprotein and more robustly destabilized the RBD-ACE-2 binding over chloroquine, ramdesivir, lopinavir and hydroxychloroquine. It was also found that laevojunenol, rhamnocitrin, and 1,5-dihydroxy-3,8-dimethoxyxanthone qualified the criteria for drug-likeness as per Lipinski rule. After attachment of the selected phytochemical with the spike protein the affinity of the later towards ACE-2 was minimized and the effect of 1,5-dihydroxy-3,8-dimethoxyxanthone and laevojunenol was superior. Hence, rhamnocitrin of P. urinaria, 1,5-dihydroxy-3,8-dimethoxyxanthone of S. chirayita and laevojunenol of V. zizanioides, are potential therapeutic molecules for SARS-COV-2, which upon binding with spike protein changes the affinity of the spike towards ACE-2 and therefore restrict the entry of the virus into a human cell. Subsequent clinical validation is needed to confirm these phytochemicals as drugs to combat COVID-19.

Chemical composition and biological properties of Pelargonium graveolens, Leptospermum petersonii and Cymbopogon martinii var. motia essential oils and of Rosa centifolia absolute

Chemical composition of the essential oils (EO) of Pelargonium graveolens, Leptospermum petersonii and Cymbopogon martinii var. motia, and the absolute of Rosa centifolia and their bioactivity were examined. Major compounds in P. graveolens EO were monoterpene alcohols citronellol, geraniol and linalool; in L. petersonii EO monoterpene aldehydes geranial, neral and citronellal; in C. martiniii var. motia EO monoterpene alcohol geraniol and ester geranyl acetate, while in absolute of R. centifolia aromatic alcohol 2-phenyl-ethanol. The EO of L. petersonii showed the strongest antibacterial while the EO of C. martinii var. motia the strongest antifungal potential. The best biofilm inhibition capacity was observed with R. centifolia absolute. The results of Scanning Electron Microscopy (SEM) analysis indicated that the EOs of L. petersonii and P. graveolens changed the number and morphology of C. albicans cells. The L. petersonii EO was the most potent toward tumour cells and exhibited the best biological activity. This is first comparative report summarizing efficacy of studied aromatic samples against pathogenic microbes, providing deeper insight into the modes of antimicrobial action, and at the same time describing their cytotoxicity against cell lines.