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INTERNATIONAL JOURNAL OF PHARMACEUTICAL RESEARCH

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IJPR included in UGC-Approved List of Journals - Ref. No. is SL. No. 4812 & J. No. 63703

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In-silico docking studies of phytometabiolites from traditional plant Rujamari (Rosmarinus officinalis) against human Topoisomerases I&II

Author: M.V.N.L. CHAITANYA, P. NARENDRA KUMAR, C. OBULA REDDY, K. MADHURI, K. SHANTHI, S JUBIE
Abstract: The Rosmarinus officinalis (Lamiaceae) known as Rusmari in Sanskrit which is a famous culinary herb known for its healing properties like memory enhancing activity, indigestion , hepatoprotective , anticancer , antidandruff, antibacterial etc. As per Ayurveda energetics, the rasa of this plant is pungent and bitter, virya is warm, vipaka is pungent , Guna is oily and light ,tissues enter is Plasma, blood, fat, muscle, nerve/bone marrow and the other tropisms it can control is Head and Liver. In recent days the Rusmari gained global recognition as an anticancer agent but most of the scientific validation is restricted only to cytotoxic effects. Hence the current research is focused on molecular mechanism of secondary metabolites those are reported from the Indian species of Rosmarinus officinalis against Human topoisomerases I & II using Libdock program in order to know hypothetically which metabolite is acting as human topo- poison compared with positive drug (camptothecin). The results are confirmed that secondary metabolites like homoplantaginin, Crismarin showed high lib dock scores of 137.65, 138.94, 137.88 in compare to camptotechin with lib dock score of 104.72 and metabolites like Rosmarinic acid , Camphene, homoplantaginin showed highest C docker energies with -56.63, - 44.90 and - 24.67 in compare to standard Doxorubicin with -33.33. All the rusmari metabolites showed very good C docker interaction energy but with altered c dock energies. The current research laid a platform towards the human dual topo poisoning activity of Rosemary drug leads and proved that Rusmari may be an ideal anticancer library for dual topo poisoning drug leads and research is in progress.
Keyword: Rosmarinus officinalis, Rosmarinic acid, Camptothecin, Doxorubicin, Homoplantaganin, Human dual topo poisons, In silico molecular docking.
DOI: https://doi.org/10.31838/ijpr/2019.11.04.088
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