IN-SILICO STUDY OF CASSIA TORA LINN IN THE TREATMENT OF GAUCHER DISEASE: A SCIENTIFIC ETHNOMEDICAL STUDY

DSNBK, Prasanth; Bhavanam, Pamula Reddy; Pasala, Praveen Kumar; Panda, Siva Prasad; Achanti, Suneetha; Jash, Rajiv; Namratha, Jamullamudi Risy; Sai Kiran, Badithala Siva; Sandeep, Katneni; Ayesha, Md. Beebi; Mokkapati, Poojitha; Chaganti, Pavithra

doi:10.21608/bfsa.2023.327332

IN-SILICO STUDY OF CASSIA TORA LINN IN THE TREATMENT OF GAUCHER DISEASE: A SCIENTIFIC ETHNOMEDICAL STUDY

Document Type : Original Article

Authors

¹ Department of Pharmacognosy, KVSR Siddhartha College of Pharmaceutical Sciences, Vijayawada – 520010, Andhra Pradesh, India.

² Department of Pharmaceutics, Nirmala College of Pharmacy, Atmakuru, AP 522503, India

³ Department of Pharmacology, Raghavendra Institute of Pharmaceutical Education and Research, Anantapuramu 515721, Andhra Pradesh, India

⁴ Department of Pharmacology, Institute of Pharmaceutical Research, GLA University, Mathura, UP, India

⁵ Department of Pharmaceutical Analysis, KVSR Siddhartha College of Pharmaceutical Sciences, Vijayawada, AP, 520010, India

⁶ Department of Pharmacology, Sanaka Educational Trusts group of Institution, Malandighi, Durgapur, West Bengal, India

⁷ Department of Pharmaceutical Chemistry, K L College of Pharmacy, Koneru Lakshmaiah Education Foundation, Green Fields, Vaddeswaram, Guntur (Dt), Andhra Pradesh, India

⁸ Department of Pharmaceutical Sciences, Vignan Pharmacy College, Vadlamudi, Andhra Pradesh 522213, India

⁹ Department of Pharmacognosy, KVSR Siddhartha College of Pharmaceutical Sciences, Vijayawada, AP, 520010, India

10.21608/bfsa.2023.327332

Abstract

The field of pharmacognosy and herbal medicine has been growing steadily over the years due to the increasing number of studies on the side effects of modern medicines and the development of new drug lines. Plants possess therapeutic properties. Gaucher disease is a rare disorder caused by a defective GBA1 gene, which encodes the acid-β-glucosidase enzyme. The molecular docking technique revealed good binding efficiency of the selected bioactive compounds from Cassia tora (C. tora) against the acid-β-glucosidase enzyme that causes GD. A computational approach was used to analyze the ADMET profiles of various phytocompounds using admetsar, protox-ii, and swissadme software. ADMET analysis revealed that Obtusifolin-2-glucoside and Cassiaside had good Health Impact Assessment (HIA) and showed no toxic effects. Preventive measures for GD result in side effects that are inaccessible and result in the emergence of phytocompounds with fewer toxic effects. The obtusifolin-2-glucoside and Cassiaside of C. tora exhibited good docking scores of -7.2 and -7 kcal/mol, respectively, and could be further analyzed using molecular dynamics and in vitro studies.

Keywords