Journal of Natural Remedies

M. K. Mohan Maruga Raja ¹, Jubie Selvaraj ², S. S. Pottabathula ², G. V. Anjana ³, M. K. Kathiravan ³

Affiliations
1 Department of Pharmacognosy and Phytochemistry, Parul Institute of Pharmacy and Research, Parul University, Vadodara, Gujarat – 391760, IN
2 Department of Pharmaceutical Chemistry, J.S.S. College of Pharmacy, Udhagamandalam, Tamil Nadu – 643001, IN
3 Dr. APJ Abdul Kalam Research Laboratory, SRM College of Pharmacy, SRM Institute of Science and Technology, Kattankulathur, Tamil Nadu – 603203, IN

Abstract

Context: The novel coronavirus named as COVID-19 (SARS-CoV-2) from its origin in Hubei spread across the continent in a short period of six months’ time. Till date there is no drug to cure the novel corona virus SARS-CoV-2. Earlier studies on SARS-CoV-1 suggests that interleukin 6 (IL-6) and Interleukin 8 (IL-8) were in the higher levels indicating the key role of IL. Aim: Molecular simulation studies were carried out on the selected 24 chemical constituents present in rasam against IL-6 to identify the key interaction between the amino acid residues and their chemical structure. Materials and Methods: A library of 24 chemical constituents was sketched using Chem Sketch programming 8.0. The 3D structures of ligands were retrieved in mol format in Maestro v 11.3 and the ligands were optimized utilizing ligprep (4.3) module (Schrödinger 2018-1). Results: One of the chemical constituents sinigrin a glucosinolate emerged as top scorer with a GLIDE score of -6.333. It was apparent from the examination, that the Van der Waals (ΔG bindvdW) and coulomb energy interactions were major great contributors. The structural diversity of sinigrin from the rest of other chemical constituents in rasam led to significantly better interaction with amino acid residues. Conclusion: The study identifies sinigrin, as one of the active constituents in rasam possessing good binding affinity against IL-6 which can be used as a dietary supplement and can be used as a control measure to fight against Covid-19.

Keywords

Functional Food, IL-6 Inhibitor, SARS-CoV-2, Sinigrin, Tartaric Acid.

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L. S. Dhivya Dhivya ¹, M. Haritha ¹, G. V. Anjana ¹, D. Priya ¹

Affiliations
1 Department of Pharmaceutical Chemistry, SRM College of Pharmacy, SRMIST, Kattankulathur, Kancheepuram – 603203, Tamil Nadu, IN

Abstract

Triphala Churna consisting Triphala and its constituents have been revealed to have antibacterial properties against human pathogens. The phenolic ring of phytochemicals has been confirmed to be toxic against microorganisms and hence responsible for antibacterial effect. It has also been found to possess antimicrobial, anti-inflammatory, anti-oxidant, and other properties. The objective of this project is to investigate which bioactive compounds of Triphala churna have antibacterial action and can protect humans from infection. The majority of the molecules in phytochemical examination were positive for ethanolic and acetone extracts and the physicochemical characteristics were within the acceptable limits. In silico data clearly explains that the compounds of Triphala churna follows Lipinski’s rule of five. The toxicity profile and ADME parameters of the compounds revealed that most of the compounds were nontoxic towards carcinogenicity, mutagenicity, and reproductive effect. Based on the energy type of interaction between these molecules and the study protein, molecular docking revealed that the three compounds from Triphala churna own the highest docking score against InhA protein: Terflavin B (-9.67 Kcal/mol), Ellagic acid (-9.37 Kcal/mol), and Corilagin (-8.57 Kcal/mol).

Keywords

Anti-bacterial Activity, InhA, Molecular Docking, Terflavin B, Triphala Churna

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G. V. Anjana ¹, M. K. Kathiravan ²

Affiliations
1 Department of Pharmaceutical Chemistry, SRM College of Pharmacy, SRMIST, Kattankulathur, Chennai – 603203, Tamil Nadu, IN
2 Department of Pharmaceutical Chemistry, SRM College of Pharmacy, SRMIST, Kattankulathur, Chennai – 603203, Tamil Nadu Dr. A. P. J. Abdul Kalam Research Lab, Department of Pharmaceutical Chemistry, SRM College of Pharmacy, SRMIST, Kattankulathur, Chennai – 603203, Tamil Nadu, IN

Abstract

Deuterium (D) and hydrogen (H) are bioisosteres because they are similar in size and shape with alike physiochemical properties and hence expect similar biological activity. The purpose of replacing H with D is to extend the time the active drug species spends in plasma, resulting in increased effectiveness and/or the avoidance of unwanted side effects. Deutetrabenazine was the first deuterated medicinal molecule, recently authorized by the FDA for the treatment of chorea “an involuntary movement disorder” associated with tardive dyskinesia and Huntington’s disease. Curcumin is found to have a long history of use in human disorders such as inflammation, metabolic syndrome, arthritis, anxiety, antimicrobial, hyperlipidemia, etc., Curcumin’s oral bioavailability and water solubility are low, resulting in poor absorption, rapid metabolism, and systemic elimination. To overcome curcumin’s drawbacks, H/D exchange was performed in curcumin, which was then characterized and tested for antibacterial, antifungal, and anti-tubercular activities. The deuterated compound showed equipotent antibacterial activity when compared with the non-deuterated compound and had better anti-fungal, anti-tubercular activity compared to its parent compound.

Keywords

Antibacterial Antifungal Anti-TB Activity, Deuterated Curcumin.

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Sk. Zakki Uddin ¹, Nirupama Panda ¹, G. V. Anjana ¹, M. K. Kathiravan ¹

Affiliations
1 Dr. APJ Abdul Kalam Research Laboratory, Department of Pharmaceutical Chemistry, SRM College of Pharmacy, SRM Institute of Science and Technology, Kattankulathur – 603203, Tamil Nadu, IN

Abstract

Tuberculosis (TB) is an infectious lung disease. Tiny droplets discharged into the air during cough and sneezes by an individual can transmit the bacteria that cause tuberculosis from one person to another. More than one million people die each year as a result of the communicable disease tuberculosis. Anti-TB allopathic drugs have been administered to treat the disease’s symptoms; however, they can produce negative side effects such as hepatitis, hypersensitivity reactions, nausea, vomiting, etc. As a result of the toxicity and side effects of allopathic medicines, the use of herbal medicine is growing in popularity. Since ancient times, medicinal plants have been used to treat illnesses. Alkaloids, coumarins, flavonoids, polyphenols, terpenoids, quinines, and other secondary metabolites that have antibacterial activity are produced by plants and may be helpful in the treatment of tuberculosis. This review aims to explore the possible uses of medicinal herbs and metal complexes with antitubercular capabilities.

Keywords

Iron Complex, Metal Complex, Terpenes, Tuberculosis.

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Nirupama Panda ¹, S. K. Zakki Uddin ¹, G. V. Anjana ¹, P. Ramalingam ², Senthilkumar Palaniappan ³, M. K. Mohan Maruga Raja ⁴, M. K. Kathiravan ¹

Affiliations
1 Dr APJ Abdul Kalam Research Laboratory, Department of Pharmaceutical Chemistry, SRM College of Pharmacy, SRM Institute of Science and Technology, Kattankulathur – 603203, Tamil Nadu, IN
2 Department of Pharmaceutical Analysis, National Institute of Pharmaceutical Education and Research (NIPER) Hajipur District: Vaishali, Hajipur - 844102, Bihar, IN
3 Faculty of Pharmacy, Karpagam Academy of Higher Education, Pollachi Main Road, Eachanari Post, Coimbatore - 641021, Tamil Nadu, IN
4 Department of Pharmacognosy and Phytochemistry, Parul Institute of Pharmacy and Research, Parul University, Vadodara, Gujarat – 391760, IN

Abstract

Deuterated medicinal chemistry is an attempt to introduce deuterium into existing drug molecules through the replacement of hydrogen atoms (-H) with deuterium (-D). The process of deuteration is to reduce the rates of breaking the carbonhydrogen bond. If the carbon-hydrogen bond breaking is the rate-determining step in the biotransformation of the drug, the deuterated drug may show improved pharmacokinetic characteristics, such as a longer half-life, hence lowering the need for frequent dosing. In this review, we discuss the improvement in the drug’s pharmacokinetic profile with deuterium. Further, this Deuterium exchange chemistry can reduce toxicity and be safe for human use. Also, the drugs experimented with using deuterium are discussed as how deuterated chemistry can help fight antimicrobial resistance. Beyond all, still, the design and development of a successful deuterated drug with acceptable efficacy is hence a challenge. The translation of hypotheses from laboratory experiments to clinical application and further to real-time practice is unpredictable. Also, long-term drug stability and toxicity studies for individual drugs are to be studied which may vary from patient to patient.

Keywords

Antimicrobial Resistance, Deuterium, Metronidazole, Pharmacokinetic Property

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