ADMET-Evaluation, Pharmacokinetics, Drug-likeness and Medicinal Chemistry of GCMS Identified Bioactive Compounds of Moringa oleifera Natural-Ripened-Dried Methanolic Pod Extract (MOMPE) as a Potential Source of Natural Drug Frontrunner for Next Generation

  • C. Kandeepan PG & Research Department of Zoology, Arulmigu Palaniandavar College of Arts & Culture, Palani – 624601, TN, India
  • K. Suganandam Department of Chemistry, Velammal College of Engineering and Technology, Viraganoor, Madurai-625009, TN, India
  • A. Jeevalatha Department of Zoology, GTN Arts College, Dindigul - 624005, TN, India
  • N. Kavitha PG & Research Department of Chemistry, Arulmigu Palaniandavar College of Arts & Culture, Palani – 624601, TN, India
  • N. Senthilkumar Institute of Forest Genetics & Tree Breeding (IFGTB), Indian Council of Forestry Research & Education (ICFRE), Coimbatore – 641002, TN, India
  • S. Sutha Department of Medicinal Botany, Govt. Siddha Medical College, Palayamkottai, Tamil Nadu, India
  • Mohamed Ali Seyed Department of Biochemistry, Faculty of Science, University of Tabuk, Tabuk, 47731, Kingdom of Saudi Arabia
  • Sanyam Gandhi Regulatory Affairs, Takeda Pharmaceuticals, Boston, MA, 02139, USA
  • S. Ramya PG Department of Zoology, Yadava College (Men), Thiruppalai - 625014, Madurai, TN, India
  • G Grace Lydial Pushpalatha PG Department of Botany, Sri Meenakshi Government Arts College, Madurai – 625002, TN, India
  • GC. Abraham PG & Research Department of Botany, The American College, Madurai – 625002, TamilNadu, India
  • J. King Immanuel Department of Zoology, Government Arts College, Melur – 625106, Madurai District, TN, India
  • R. Jayakumararaj Department of Botany, Government Arts College, Melur – 625106, Madurai District, TN, India

Abstract

Over centuries, Moringa oleifera has been used as an integral part of Ayurveda, Siddha and Unani systems of medicine, besides this miracle tree has a wide range of nutritional and bioactive compounds, including proteins, essential amino acids, carbohydrates, lipids, fiber, vitamins, minerals, phenolic compounds, phytosterols and others. The miracle tree is endowed with a wide range of pharmacological properties, including anti-diabetic, anti-inflammatory, anti-carcinogenic, antioxidant, cardioprotective, antimicrobial and hepatoprotective activities. However, deeper dimensions of authentic data on plant based natural products in relation to drug discovery, pharmacokinetics properties of biomolecules is far lacking. ADMET prospecting is eventually expected to contribute to success of MO based lead candidates in drug design, development program besides saving time and money. This study is the first of its kind reporting summative ADMET (Absorption, Distribution, Metabolism, Excretion and Toxicology) properties of all bioactive compounds Moringa oleifera methanolic pod extract (MOMPE) as a potential source of natural drug lead using Swiss ADME. A total of 12 compounds namely - 7-Octadecyne, 2-methyl- (C19H36); 3,7,11,15-Tetramethyl-2-hexadecen-1-ol (C20H40O); 3,7,11,15-Tetramethyl-2-hexadecen-1-ol (C20H40O); 6,9,12,15-Docosatetraenoic acid, me (C23H38O2); Cyclohexanol, 5-methyl-2-(1-methylethyl)- (C10H20O); 3,7,11,15-Tetramethyl-2-hexadecen-1-ol (C20H40O); Palmitic acid vinyl ester (C18H34O2); .γ.-Tocopherol (C28H48O2); Vitamin E (C29H50O2); Cholesta-7,9(11)-dien-3-ol, 4,4-dim (C29H48O); γ.-Sitosterol (C29H50O); Stigmasta-5,24(28)-dien-3-ol, (3.β.,24Z)- (C29H48O). Most of the MOPBNPs are non-substrate for both P-gp (P-glycoprotein) and CYP (Cytochrome P-450 isoenzymes). All the compounds were evaluated for properties viz., GI absorption, BBB permeant, Pgp substrate, CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4 inhibitors, Lipinski, Ghose, Veber, Egan, Muegge, rule and Bioavailability Score to provide baseline information on PBNPs in MONRD pod.


Keywords: PBNPs; NGDDT; ADMET; Moringa oleifera; Secondary Metabolites MONRD pod

Keywords: PBNPs, NGDDT, ADMET, Moringa oleifera, Secondary Metabolites MONRD pod

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Author Biographies

C. Kandeepan, PG & Research Department of Zoology, Arulmigu Palaniandavar College of Arts & Culture, Palani – 624601, TN, India

PG & Research Department of Zoology, Arulmigu Palaniandavar College of Arts & Culture, Palani – 624601, TN, India

K. Suganandam, Department of Chemistry, Velammal College of Engineering and Technology, Viraganoor, Madurai-625009, TN, India

Department of Chemistry, Velammal College of Engineering and Technology, Viraganoor, Madurai-625009, TN, India

A. Jeevalatha, Department of Zoology, GTN Arts College, Dindigul - 624005, TN, India

Department of Zoology, GTN Arts College, Dindigul - 624005, TN, India

N. Kavitha, PG & Research Department of Chemistry, Arulmigu Palaniandavar College of Arts & Culture, Palani – 624601, TN, India

PG & Research Department of Chemistry, Arulmigu Palaniandavar College of Arts & Culture, Palani – 624601, TN, India

N. Senthilkumar, Institute of Forest Genetics & Tree Breeding (IFGTB), Indian Council of Forestry Research & Education (ICFRE), Coimbatore – 641002, TN, India

Institute of Forest Genetics & Tree Breeding (IFGTB), Indian Council of Forestry Research & Education (ICFRE), Coimbatore – 641002, TN, India

S. Sutha, Department of Medicinal Botany, Govt. Siddha Medical College, Palayamkottai, Tamil Nadu, India

Department of Medicinal Botany, Govt. Siddha Medical College, Palayamkottai, Tamil Nadu, India

Mohamed Ali Seyed, Department of Biochemistry, Faculty of Science, University of Tabuk, Tabuk, 47731, Kingdom of Saudi Arabia

Department of Biochemistry, Faculty of Science, University of Tabuk, Tabuk, 47731, Kingdom of Saudi Arabia

Sanyam Gandhi, Regulatory Affairs, Takeda Pharmaceuticals, Boston, MA, 02139, USA

Regulatory Affairs, Takeda Pharmaceuticals, Boston, MA, 02139, USA

S. Ramya, PG Department of Zoology, Yadava College (Men), Thiruppalai - 625014, Madurai, TN, India

PG Department of Zoology, Yadava College (Men), Thiruppalai - 625014, Madurai, TN, India

G Grace Lydial Pushpalatha, PG Department of Botany, Sri Meenakshi Government Arts College, Madurai – 625002, TN, India

PG Department of Botany, Sri Meenakshi Government Arts College, Madurai – 625002, TN, India

GC. Abraham, PG & Research Department of Botany, The American College, Madurai – 625002, TamilNadu, India

PG & Research Department of Botany, The American College, Madurai – 625002, TamilNadu, India

J. King Immanuel, Department of Zoology, Government Arts College, Melur – 625106, Madurai District, TN, India

Department of Zoology, Government Arts College, Melur – 625106, Madurai District, TN, India

R. Jayakumararaj, Department of Botany, Government Arts College, Melur – 625106, Madurai District, TN, India

Department of Botany, Government Arts College, Melur – 625106, Madurai District, TN, India

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Kandeepan C, Suganandam K, Jeevalatha A, Kavitha N, Senthilkumar N, Sutha S, Seyed MA, Gandhi S, Ramya S, Grace Lydial Pushpalatha G, Abraham G, King Immanuel J, Jayakumararaj R. ADMET-Evaluation, Pharmacokinetics, Drug-likeness and Medicinal Chemistry of GCMS Identified Bioactive Compounds of Moringa oleifera Natural-Ripened-Dried Methanolic Pod Extract (MOMPE) as a Potential Source of Natural Drug Frontrunner for Next Generation. JDDT [Internet]. 15Nov.2022 [cited 9Dec.2022];12(6):65-. Available from: https://jddtonline.info/index.php/jddt/article/view/5668

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