In-Vitro and In-Silico Anti-inflammatory Activity of Lupeol Isolated from Crateva adansonii and Its Hidden Molecular Mec
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In‑Vitro and In‑Silico Anti‑inflammatory Activity of Lupeol Isolated from Crateva adansonii and Its Hidden Molecular Mechanism R. Thirumalaisamy1,2 · Fuad Ameen3 · A. Subramanian2 · T. Selvankumar1 · S. S. Alwakeel4 · M. Govarthanan5 Accepted: 22 December 2019 © Springer Nature B.V. 2020
Abstract The aim of the present study is to reveal the possible mechanism of anti-inflammatory activity of Crateva adansonii leaf extract to claim folkoric use of the plant in inflammation disease conditions. Isolation of chloroform leaf extract fraction (CEF) containing anti-inflammatory marker compound of the plant lupeol is done through column chromatography procedure, which is further confirmed by HPLC analysis with standard lupeol compound. The isolated marker compound lupeol from CEF shows significant in vitro anti-inflammatory effect compared to methanolic and chloroform leaf extracts (ME & CE) of the plant Crateva adansonii and reference standard indomethacin. Further in silico screening of lupeol and indomethacin against five crucial inflammatory molecular targets such as COX-2 (PDB ID: 4COX), MPO (PDB ID: 3ZS0), IL1β (PDBID: 1T4Q), IL6 (PDBID: 19PM) and TNFα (PDBID: 2AZ5) was done using autodock tool. Maximal binding affinity (− 11.6, − 9.0, − 9.9, − 7.5, − 9.0 kcal/mol) was exhibited by lupeol against all five targets of inflammation COX-2, MPO, TNFα, IL1β & IL6 respectively. In vitro and in silico modeling confirms the anti-inflammatory efficiency of lupeol and also unveils the hidden molecular mechanisms of folkoric use of Crateva adansonii plant in inflammatory disease conditions. Keywords Anti-inflammatory · CEF · Crateva adansonii · COX-2 · MPO
Introduction Crateva adansonii is a member of Capparidaceae family also known as garlic pear. It is a a moderate deciduous plant widely distributed in India. It has been established that almost all parts of the plant are widely used in traditional * A. Subramanian [email protected] * M. Govarthanan [email protected] 1
Department of Biotechnology, Mahendra Arts & Science College (Autonomous), Namakkal, Tamil Nadu 637 501, India
2
Department of Biochemistry, Rajah Serfoji Government College (Autonomous), Thanjavur, Tamil Nadu 613 005, India
3
Department of Botany & Microbiology, College of Science, King Saud University, Riyadh 11451, Saudi Arabia
4
Department of Biology, College of Science, Princess Nourah Bint Abdulrahman University, Riyadh, Saudi Arabia
5
Department of Environmental Engineering, Kyungpook Natioanl University, Taegu, Republic of Korea
medicine to treat many diseases. However, the leaves of C. adansonii widely used to treat inflammations and asthma related diseases (Akanji et al. 2013). The leaf decoction is widely used to treat stomach, fevers, inflammation, swellings and asthma (Gitte et al. 2012). Igoli et al. (2012) reported the in vitro anti-trypanosomal activity of C.adansonii leaf extract. In addition, C. adansonii leaf extract also inhibit xanthine oxidase enzyme activity which prevents or slower down the inflammatory arthri
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