Multifarious Pharmacotherapeutic Perspectives of Some Natural Bromophenol Compounds: In silico Enzyme Inhibitory Potentials

Authors

  • TOMY MURINGAYIL JOSEPH CSIR-Indian Institute of Chemical Technology, Hyderabad - 500007, Telangana, India
  • DEBARSHI KAR MAHAPATRA Department of Pharmaceutical Chemistry, Dadasaheb Balpande College of Pharmacy, Nagpur 440037, Maharashtra, India

Keywords:

Bromophenol, Molecular docking, In silico, Therapeutic target, Multi-targeted, Inhibitors

Abstract

The process of drug discovery, design, and development often designated as 3Ds has played enormous role in modern era. The present research investigation includes in silico exploration of possible pharmacological potentials of bromophenol compounds by the aid of Schrodinger Maestro 9.1 software against six pharmacotherapeutic targets; Dipeptidyl peptidase (anti-diabetic), Angiotensin-1-Converting Enzyme (anti-hypertensive), Cyclin-Dependent Kinase-5 (anti-cancer), Protein kinase C (anti-cancer), Lipoxygenase-5 (anti-inflammatory), and Cycloxygenase-2 (anti-inflammatory). The docking scores, referred to as Glide Scores were reported for each ligand against specific drug targets and from this study, a conclusion was drawn for their future applications. The IFD results were impressive with low Glide Score due to interaction with the amino acid residues of the active site through the formation of strong hydrogen bonding, π-π interactions, and Van der Waals forces via hydroxyl group and oxygen-atom. The validated in silico study furthermore will definitely open innovative avenues of pharmacological research in the rational development of dual inhibitors and multi-targeted ligands. This approach for the endless search of natural products towards new biological activities will open doors for the academicians, modern scientists, and researchers and also provide better perspectives for pharmacotherapeutics.

 

Keywords: Bromophenol, Molecular docking, In silico, Therapeutic target, Multi-targeted, Inhibitors

Cite this Article

Tomy Muringayil Joseph, Debarshi Kar Mahapatra. Multifarious Pharmacother
apeutic Perspectives of Some Natural Bromophenol Compounds: In silico Enzyme Inhibitory Potentials. Research & Reviews: A Journal of Drug Design & Discovery. 2019; 6(2): 24–29p.

Author Biography

  • DEBARSHI KAR MAHAPATRA, Department of Pharmaceutical Chemistry, Dadasaheb Balpande College of Pharmacy, Nagpur 440037, Maharashtra, India

    Debarshi Kar Mahapatra, PhD

    Assistant Professor,

    Department of Pharmaceutical Chemistry,

    Dadasaheb Balpande College of Pharmacy,

    Nagpur 440037, Maharashtra, India

References

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Mahapatra DK, Bharti SK, editors. Pharmacological Perspectives of Low Molecular Weight Ligands, 1st Edn. New Jersey: Apple Academic Press; 2019.

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Mahapatra DK, Bharti SK. Handbook of Research on Medicinal Chemistry: Innovations and Methodologies, 1st Edn. New Jersey: Apple Academic Press; 2017.

Mahapatra DK, Bharti SK. Drug Design, 1st Edn. New Delhi, India: Tara Publications Private Limited; 2016.

Chhajed SS, Bastikar V, Bastikar AV, Mahapatra DK. Computer Aided Drug Design, 1st Edn. Pune: Everest Publishing House; 2019.

Chhajed SS, Upasani C, Wadher SJ, Mahapatra DK. Medicinal Chemistry, 1st Edn. Nashik: Career Publications Private Limited; 2017.

Joseph TM, Mahapatra DK. Bacterial DNA Gyrase (Topoisomerase) Inhibitory Potentials of Heterocyclic Natural Products: Investigations through Induced-Fit Molecular Docking Approach. Res Rev J Drug Des Discov. 2018;5(2):7-9p.

Joseph TM, Mahapatra DK. Induced-Fit Molecular Docking and Pharmacokinetic Prediction Studies of Two Phenanthrene Compound Series as Potential Cyclooxygenase-2 (COX-2) and Lipoxygenase (LOX) Inhibitors: Edema Reducing Prospects of the Emerging Candidates. Res Rev Journal Bioinformat. 2018;5(3):1-8p.

Joseph TM, Mahapatra DK. A Nascent Step towards the Discovery of New Generation Non-Steroidal Anti-inflammatory Agents (NSAIDs): Induced-Fit Molecular Docking and Pharmacokinetic Prediction Studies of Some Chromene Derivatives as Potential Cyclooxygenase-2 (COX-2) and Lipoxygenase (LOX) Inhibitors. Res Rev J Boinformat. 2018;5(2):30-36p.

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Published

2019-08-28

Issue

Vol. 6 No. 2 (2019)

Section

Research Article

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