Anti-inflammatory and In Silico Docking Studies of Heterophragma adenophyllum Seem Stem Constituents.


Abu-Izneid T(1), Shah ZA(2), Rauf A(3), Wadood A(4), Bawazeer S(5), Muhammad N(6), El-Esawi MA(7), Alhumaydhi FA(8), Aljohani ASM(9), El-Sharkawy E(10), Mubarak MS(11), Isayeva K(12), Shariati MA(13)(14)(15).
Author information:
(1)Pharmaceutical Sciences, College of Pharmacy, Al Ain University, Al Ain Campus, United Arab Emirates.
(2)Department of Biochemistry, Agriculture University of Peshawar, Peshawar, KPK, Pakistan.
(3)Department of Chemistry, University of Swabi, Anbar, KPK, Pakistan. [Email]
(4)Department of Biochemistry, Abdul Wali Khan, University Mardan, Mardan, KPK, Pakistan.
(5)Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, P.O. Box 42, Makkah, Saudi Arabia.
(6)Department of Pharmacy, Abdul Wali Khan University, Mardan, KPK, Pakistan.
(7)Botany Department, Faculty of Science, Tanta University, Tanta, 31527, Egypt.
(8)Department of Medical Laboratories, College of Applied Medical Sciences, Qassim University, Buraydah, Saudi Arabia.
(9)Department of Veterinary Medicine, College of Agriculture and Veterinary Medicine, Qassim University, Buraydah, Saudi Arabia.
(10)Chemistry Department, Faculty of Science, Northern Borders University, Arar, Saudi Arabia.
(11)Department of Chemistry, The University of Jordan, Amman, 11942, Jordan.
(12)S. Toraighyrov Pavlodar State University, Pavlodar, Kazakhstan.
(13)Laboratory of Biological Control and Antimicrobial Resistance, Orel State University named after I.S. Turgenev, Orel City, 302026, Russia.
(14)K.G. Razumovsky Moscow State University of Technologies and Management
(the First Cossack University), Moscow, Russian Federation.
(15)Kazakh Research Institute of Processing and Food Industry
(Semey Branch), Semey, Kazakhstan.


Heterophragma adenophyllum is a traditional medicinal plant that has been used as anti-inflammatory and to relief muscular tension. In the current research, four isolated constitutes namely lapacho (1), peshawaraquinone (2), indanone derivatives (3), α-lapachone (4) of H. adenophyllum were tested for anti-inflammatory effect using the carrageenan- and histamine-induced paw edema paradigm. The tested compounds (1-4) were evaluated for anti-inflammatory effect during the early and late phase of edema induction. In the early phase, all tested compounds (0.5 2.5 mg/kg each i.p.) demonstrated less than 50% effect, while in the later phase, compounds (2 and 3) demonstrated 85.66 and 89.87% attenuation. In addition, compounds (1-4) were subjected to histamine-induced inflammation, where compounds 2 and 3 exhibited excellent effects 86.87 and 89.98%, respectively at 5 mg/kg after the 2nd hour of administration, whereas compounds 1 and 4 did not exhibit any significant effect as compared with the negative control. Molecular docking results revealed a very high potency of compound based on the protein-ligand interaction (PLI) profile, which was further evaluated through a molecular dynamic simulation study. Therefore, the anti-inflammatory effect of H. adenophyllum attributed to the presence of these bioactive compounds (1-4) strongly supports the traditional uses of H. adenophyllum for treatment of inflammation. However, compounds 2 and 3 which exerted anti-inflammatory effect must be subjected for further mechanistic studies.