Research Journal of Pharmacy and Technology

R. Sudha ¹, P. Brindha Devi ², G. Nithya ¹

Affiliations
1 Department of Chemistry, School of Basic Sciences, Vels Institute of Science, Technology and Advanced Studies, IN
2 Department of Bio-Engineering, B.Tech Biotechnology, Vels Institute of Science, Technology and Advanced Studies, IN

Abstract

Cyclooxygenases (COX-1 and COX-2) catalyze the rate-limiting step in the biosynthesis of prostaglandins, prostacyclins, and thromboxanes. Ibuprofen has classically fallen into the time-dependant class of COX inhibitors as it binds rapidly and reversibly to Cox and acts as a competitive inhibitor of arachidonic acid oxygenation.The discovery of new and novel anti-inflammatory drugs is an area of intense interest in both pharmaceutical industry and academic laboratories. Significant advances have been made in the treatment of inflammatory diseases such as rheumatoid arthritis and multiple sclerosis, but most dramatically with new biologic agents. Perhaps due in part to the mixed experiences with COX-2 inhibitors, very few small molecule anti-inflammatory drugs with novel modes of action have made it to the market in the last decade.The various benzilic acid compounds synthesized have taken for in-silico analysis to study the structure activity relationship using crystal structure co-crystallized with 2-(4-isobtyl phenyl) propionic acid (PDB ID: 4PH9).The synthesized ligands were docked using three different docking strategies; High throughput virtual screening, Standard Precision and Extra Precision docking strategies. After three different analyses, the docking scores of the synthesized compounds were found to be in the range of -8.221 to –6.342 Kcal mol^-1. Finally the compounds are shortlisted based on the visual inspection of the amino acids interaction.

Keywords

Cyclooxygenases, Docking, Benzilic Acid and Inflammatory Diseases.

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P. Brindha Devi ¹, K. R. Bagyalakshmi ¹, S. Gayathri ¹

Affiliations
1 Department of Bio-Engineering, B. Tech Biotechnology, Vels Institute of Science, Technology and Advanced Studies, Chennai, IN

Abstract

The plants are one of the common and highly useful medicinal sources that are used since ages. Every single parts of plant like leaves, stem, ischolar_mains, seeds, fruits and flowers has its very own restorative medicinal properties and applications. They are the rich sources of natural phytoconstitutents and have more therapeutic potentials which are used for drug development. Medicinal plants are essential wellspring of organic compounds. The Aromatic plant Ocimum tenuiflorum commonly called as Tulsi and Alpinia galanga commonly as greater Galangal are two of the natural plants that are loaded with more medicinal properties like antimicrobial, anticancer, anti-inflammatory, etc. Tulsi is known as ‘Queen of Herbs’ and its eugenol a phenolic phytoconstituent which is responsible for therapeutic actions against skin infections, diabetes, neuralgia, cancer, respiratory, gastric, cardiac and genitourinary disorders, digestion issues and so on. Galangal mainly the rhizome part is famous for food spices and its fragrance. It has more potency to fight against different kinds of cancer; it is a good anti-inflammatory agent and antimicrobial agent and a perfect free radical scavenger. The both ayurvedic plant species have a predominant solution to modern lifestyle health related issues. Their activities get more enhanced when their extract are combined as both the benefits act for a single cause. This paper summaries the pharmacological activity of both Ocimum tenuiflorum and Alpinia galanga and their combined effects.

Keywords

Medicinal Plants, Ocimum tenuiflorum, Alpinia galanga, Phytoconstituents, Combined Effects.

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S. Akilashree ¹, P. Brindha Devi ¹

Affiliations
1 Department of Bio-Engineering, School of Engineering, Vels Institute of Science, Technology and Advanced Studies, IN

Abstract

Neuropathic pain, the type of pain condition which is caused by the specific nociceptors and is very different from the regular pain. The pain caused is highly intolerable to patients as the pain can be evoked by gentle touch, wind, clothes pressure and puts a great challenge to proceed with day to day activities. The treatments for the neuropathic pain reduces the production of neurotransmitters to some extent which be the cause of intolerable pain, but the faster disease progression is the main concern which can be sorted out by earlier prediction. The efficient grading system is required to differentiate the neuropathic pain condition and to initiate the treatment quickly after the onset of disease. The grading factors give the actual cause, location and the progression of pain. Understanding the mechanism behind the neuropathic pain is very important to carry out the drug formulation, effects of drugs, and distinguishing neuropathic pain from the regular induced pain. It is also required to initiate the treatment shortly after the onset of disease. Here, this review explains about the grading system of neuropathic pain, causes of pain, mechanism and the wide range of drugs involved in the treatment of neuropathic pain.

Keywords

Nociceptors, Neuropathic Pain, Neurotransmitters.

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R. Sudha ¹, P. Brindha Devi ², G. Nithya ¹

Affiliations
1 Department of Chemistry, School of Basic Sciences, Vels Institute of Science, Technology and Advanced Studies, IN
2 Department of Bio-Engineering, B. Tech Biotechnology, Vels Institute of Science, Technology and Advanced Studies, IN

Abstract

SIRT3 is one of the major mitochondrial deacetylase and has been shown to regulate the activity of many mitochondrial proteins. The sirt3 gene is observed in various human cancers. Sirutin gene family is hypothesized to regulate the aging process and plays a role in cellular repair. Expression of a single oncogene in sirt3 mouse embryonic fibroblasts results in in vitro transformation and altered intracellular metabolism. The crystal structure of SIRT3 with acetylated Acetyl CoA Synthatase2 peptide has been obtained to show that SIRT3 can form a stable complex with the substrate peptide in the absence of NAD+. Virtual screening of the compound was carried out by using Glide module of Schrodinger, LLC. Final shortlisting of hit molecules were performed based on visual inspection of important amino acid interactions in the active site cavity, docking scores and the hydrogen bonds involved in binding. The active site of the protein was validated and the Grid was generated with the active site of the protein. The docking score of the protein with the original ligand was found to be -9.836 kcal mol^-1. The compounds were sent for three rounds of docking strategies from HTVS with the criteria of docking score were further docked using Glide SP (Standard precision) docking module and Filtered ligands were subjected to Glide XP docking analysis. The resulted compounds with docking scores were found to be in the range of -8.970 to -4.292 kcal mol^-1. Compound Benzilic acid possessed good docking score with related to the reference ligand and it also possess the cancer cell toxic nature with the inhibition of 64.18% at 50 μg/ml concentration.

Keywords

SIRT3, Benzilic Acid, Docking, Toxicity.

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