JOURNAL OF CHILEAN CHEMICAL SOCIETY

Vol 71 No 1 (2026): Journal of The Chilean Chemical Society - Special Issue in Tribute to Professor Mario Silva (In Memoriam)
Original Research Papers

INTEGRATIVE IN VITRO AND IN SILICO ANALYSIS OF FATTY ACID BIOCONVERSION: ELUCIDATING METABOLIC AND ENZYMATIC MECHANISMS IN LINOLEIC ACID TRANSFORMATION BY PROBIOTIC LACTIPLANTIBACILLUS PLANTARUM HMX2

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  • Jasra Naseeb,
  • Munazza Kanwal,
  • Sam Aldalali,
  • Abid Sarwar,
  • Tariq Aziz,
  • Zhennai Yang,
  • Dr Ayaz Ali Khan,
  • Ashwag Shami,
  • Maher S Alwethaynani,
  • Areej A Alhhazmi,
  • Abeer M Alghamdi,
  • Fakhria A Al-Joufi
Jasra Naseeb
Key Laboratory of Geriatric Nutrition and Health of Ministry of Education, Beijing Advanced Innovation Center for Food Nutrition and Human Health, Beijing Technology and Business University Beijing China
Munazza Kanwal
Department of Biological Sciences, National University of Medical Sciences, Rawalpindi, Pakistan.
Sam Aldalali
School of Food and Health, Guilin Tourism University, Guilin 541006 China
Abid Sarwar
Key Laboratory of Geriatric Nutrition and Health of Ministry of Education, Beijing Advanced Innovation Center for Food Nutrition and Human Health, Beijing Technology and Business University Beijing China
Tariq Aziz
Key Laboratory of Geriatric Nutrition and Health of Ministry of Education, Beijing Advanced Innovation Center for Food Nutrition and Human Health, Beijing Technology and Business University Beijing China
Zhennai Yang
Key Laboratory of Geriatric Nutrition and Health of Ministry of Education, Beijing Advanced Innovation Center for Food Nutrition and Human Health, Beijing Technology and Business University Beijing China
Dr Ayaz Ali Khan
Department of Biotechnology University of Malakand
Ashwag Shami
Department of Biology, College of Science, Princess Nourah bint Abdulrahman University, P.O.Box 84428, Riyadh 11671 Saudi Arabia
Maher S Alwethaynani
Department of Clinical Laboratory Sciences, College of Applied Medical Sciences, Shaqra University, Alquwayiyah, Riyadh, Saudi Arabia
Areej A Alhhazmi
Clinical Laboratory Sciences Department. Applied Medical Sciences, Taibah University,Medina, Saudi Arabia
Abeer M Alghamdi
Department of Biology, Faculty of Science, Al-Baha University, Al-Baha, Saudi Arabia
Fakhria A Al-Joufi
Department of Pharmacology, College of Pharmacy, Jouf University, 72341 Aljouf, Saudi Arabia.
Published August 2, 2026
Keywords
  • LA biotransformation,
  • L. plantarum HMX2,
  • lipid metabolism,
  • enzymatic interactions,
  • molecular docking
How to Cite
Naseeb, J., Kanwal, M., Aldalali, S., Sarwar, A., Aziz, T., Yang, Z., Khan, D. A. A., Shami, A., Alwethaynani, M. S., Alhhazmi, A. A., Alghamdi, A. M., & Al-Joufi, F. A. (2026). INTEGRATIVE IN VITRO AND IN SILICO ANALYSIS OF FATTY ACID BIOCONVERSION: ELUCIDATING METABOLIC AND ENZYMATIC MECHANISMS IN LINOLEIC ACID TRANSFORMATION BY PROBIOTIC LACTIPLANTIBACILLUS PLANTARUM HMX2. Journal of the Chilean Chemical Society, 71(1), 6520 - 6528. Retrieved from https://jcchems.com/index.php/JCCHEMS/article/view/2867

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Abstract

Probiotic bacteria transform linoleic acid (LA) into bioactive lipid derivatives, offering significant potential for industrial applications and health benefits. This study aimed to elucidate the metabolic pathways and enzymatic interactions involved in the biotransformation of linoleic acid by Lactiplantibacillus plantarum HMX2 using both experimental and computational approaches. Growth kinetics were monitored across varying substrate concentrations (2%–10%), while gas chromatography-mass spectrometry (GC-MS) was employed to identify key biotransformation metabolites. In silicoanalyses included protein identification, molecular docking, and molecular dynamics (MD) simulations to determine enzyme-substrate binding affinity and interaction stability. L. plantarum HMX2 demonstrates unique metabolic plasticity, producing a broader range of fatty acid derivatives than LAB strains, making it a promising candidate for biotechnological applications related to lipid metabolism. Further research should focus on experimental validation through recombinant expression and kinetic profiling of the identified enzymes to confirm their specific roles in linoleic acid biotransformation and to optimize industrial-scale applications.

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