ADMETox-informatics of Plant Derived Octadecanoic Acid (Stearic Acid) from Ethyl Acetate Fraction of Moringa oleifera Leaf Extract as a Natural Lead for Next Generation Drug Design, Development and Therapeutics

  • M. Murugan PG & Research Department of Zoology, Arulmigu Palaniandavar College of Arts & Culture, Palani – 624601, TN, India
  • R.V. Kalaimathi PG & Research Department of Zoology, Arulmigu Palaniandavar College of Arts & Culture, Palani – 624601, TN, India
  • K. Krishnaveni Department of Zoology, GTN Arts & Science College, Dindigul - 624005, TN, India
  • A.N. Basha PG & Research Department of Zoology, Arulmigu Palaniandavar College of Arts & Culture, Palani – 624601, TN, India
  • A Pallan. Gilles PG & Research Department of Zoology, Arulmigu Palaniandavar College of Arts & Culture, Palani – 624601, TN, India
  • C. Kandeepan PG & Research Department of Zoology, Arulmigu Palaniandavar College of Arts & Culture, Palani – 624601, TN, India
  • N. Senthilkumar Institute of Forest Genetics & Tree Breeding (IFGTB), ICFRE, Coimbatore – 641002, TN, India
  • B. Mathialagan PG Department of Zoology, Yadava College (Men), Thiruppalai - 625014, Madurai, TN, India
  • S. Ramya PG Department of Zoology, Yadava College (Men), Thiruppalai - 625014, Madurai, TN, India
  • R. Jayakumararaj Department of Botany, Government Arts College, Melur – 625106, Madurai District, TN, India
  • T. Loganathan Department of Plant Biology & Plant Biotechnology, LN Government College (A), Ponneri, TN, India
  • G. Pandiarajan Department of Botany, Sri S Ramasamy Naidu Memorial College (A), Sattur - 626203 TN, India
  • P. Kaliraj Department of Zoology, Sri S Ramasamy Naidu Memorial College (A), Sattur - 626203 TN, India
  • S. Sutha Department of Medicinal Botany, Govt. Siddha Medical College, Palayamkottai, Tamil Nadu, India
  • D. Kandavel Government Arts College for Men (Autonomous), Nandanam, Chennai – 600 035, Tamil Nadu, 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
  • Ram Chand Dhakar Hospital Pharmacy, SRG Hospital & Medical College Jhalawar-326001, Rajasthan, India https://orcid.org/0000-0001-8250-8489

Abstract

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.


Keywords: Moringa oleifera; Bioactive Substances; Octadecanoic Acid; Stearic Acid; ADME/Tox; Natural Product Based Drug Lead; PBNPs

Keywords: Moringa oleifera, Bioactive Substances, Octadecanoic Acid, Stearic Acid, ADME/Tox, Natural Product Based Drug Lead, PBNPs

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Author Biographies

M. Murugan, 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

R.V. Kalaimathi, 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. Krishnaveni, Department of Zoology, GTN Arts & Science College, Dindigul - 624005, TN, India

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

A.N. Basha, 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

A Pallan. Gilles, 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

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

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

Institute of Forest Genetics & Tree Breeding (IFGTB), ICFRE, Coimbatore – 641002, TN, India

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

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

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

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

T. Loganathan, Department of Plant Biology & Plant Biotechnology, LN Government College (A), Ponneri, TN, India

Department of Plant Biology & Plant Biotechnology, LN Government College (A), Ponneri, TN, India

G. Pandiarajan, Department of Botany, Sri S Ramasamy Naidu Memorial College (A), Sattur - 626203 TN, India

Department of Botany, Sri S Ramasamy Naidu Memorial College (A), Sattur - 626203 TN, India

P. Kaliraj, Department of Zoology, Sri S Ramasamy Naidu Memorial College (A), Sattur - 626203 TN, India

Department of Zoology, Sri S Ramasamy Naidu Memorial College (A), Sattur - 626203 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

D. Kandavel, Government Arts College for Men (Autonomous), Nandanam, Chennai – 600 035, Tamil Nadu, India

Government Arts College for Men (Autonomous), Nandanam, Chennai – 600 035, Tamil Nadu, 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

Ram Chand Dhakar, Hospital Pharmacy, SRG Hospital & Medical College Jhalawar-326001, Rajasthan, India

Hospital Pharmacy, SRG Hospital & Medical College Jhalawar-326001, Rajasthan, India

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Murugan M, Kalaimathi R, Krishnaveni K, Basha A, Gilles AP, Kandeepan C, Senthilkumar N, Mathialagan B, Ramya S, Jayakumararaj R, Loganathan T, Pandiarajan G, Kaliraj P, Sutha S, Kandavel D, Grace Lydial Pushpalatha G, Abraham G, Dhakar RC. ADMETox-informatics of Plant Derived Octadecanoic Acid (Stearic Acid) from Ethyl Acetate Fraction of Moringa oleifera Leaf Extract as a Natural Lead for Next Generation Drug Design, Development and Therapeutics. JDDT [Internet]. 15Nov.2022 [cited 9Dec.2022];12(6):129-41. Available from: https://jddtonline.info/index.php/jddt/article/view/5677

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