Background: Siddha system is one of the ancient medical systems which originated in Indiamore than 4000 years ago had given many formularies and treatment methods for variousdiseases especially skin diseases and autoi...Background: Siddha system is one of the ancient medical systems which originated in Indiamore than 4000 years ago had given many formularies and treatment methods for variousdiseases especially skin diseases and autoimmune diseases. One of the most well-knownmembers of the Fabaceae family and a popular medicinal plant is Athimathuram(Glycyrrhiza glabra). Glycyrrhiza glabra root powder (Athimathuram chooranam) fromSiddha herbal formulation mentioned in the texts to treat vitiligo. The study is aimed toexecute the In Silico computational studies of phytoconstituents of Siddha herbAthimathuram chooranam (Glycyrrhiza glabra) against Tyrosinase enzyme for the treatmentof vitiligo. Method: Making use of Auto Dock 4, docking calculations were performed.Gasteiger partial charges were applied to the ligand atoms. In order to simulate docking, theSolis & Wets local search approach and the Lamarckian genetic algorithm were employed.The ligand molecules’ initial locations, orientations, and torsion angles were determined atrandom. During docking, all rotatable torsions were freed. Results: By interacting withamino acids located on the active site of the tyrosinase enzyme, bioactive substances likeGlycyrrhizin, Liquirtin, Glabridin, Umbelliferone, and Glabrene included in the Siddhaformulation exhibit substantial binding activity against the target protein. Conclusion: Itwas concluded that these compounds might exert promising anti-vitiligo properties.展开更多
Background:The Siddha system of traditional medicine has historically been utilized to treat a wide range of illnesses,including noncommunicable diseases.With more than 62 million people in India already living with d...Background:The Siddha system of traditional medicine has historically been utilized to treat a wide range of illnesses,including noncommunicable diseases.With more than 62 million people in India already living with diabetes,the disease is quickly gaining the status of a possible epidemic.It has been demonstrated that this medical theory contains anti-diabetic substances.The goal of this work is to assess in silico computational investigations of the phytoconstituents in the traditional Siddha polyherbal preparation ABC,which is frequently used to treat diabetes.Method:Alpha-Glucosidase was used as the target enzyme in docking calculations for recovered phytocomponents.With the help of Auto Dock tools,necessary hydrogen atoms,Kollman unified atom type charges,and solvation parameters were added.The Lamarckian genetic algorithm and the Solis and Wets local search approach were used to simulate docking.Results:A total of 13 bioactive lead compounds were identified from the Siddha Formulation ABC.According to the herb’s stated data,the target enzyme Alpha-Glucosidase can interact with the phytochemicals Beta-Sitosterol,Amyrin,Lupeol,Arjunic acid,Arjungenin,Tinosporide,and Tembetarine up to four or five times.The second-placed substances,which had a maximum of two to three interactions with the target enzyme Alpha-Glucosidase,were betulonic acid,kaempferol,gallic acid,and barbaloin.Conclusion:The implementation of these formulations in future preclinical and clinical studies could result in the effective management of Type II Diabetes Mellitus.展开更多
文摘Background: Siddha system is one of the ancient medical systems which originated in Indiamore than 4000 years ago had given many formularies and treatment methods for variousdiseases especially skin diseases and autoimmune diseases. One of the most well-knownmembers of the Fabaceae family and a popular medicinal plant is Athimathuram(Glycyrrhiza glabra). Glycyrrhiza glabra root powder (Athimathuram chooranam) fromSiddha herbal formulation mentioned in the texts to treat vitiligo. The study is aimed toexecute the In Silico computational studies of phytoconstituents of Siddha herbAthimathuram chooranam (Glycyrrhiza glabra) against Tyrosinase enzyme for the treatmentof vitiligo. Method: Making use of Auto Dock 4, docking calculations were performed.Gasteiger partial charges were applied to the ligand atoms. In order to simulate docking, theSolis & Wets local search approach and the Lamarckian genetic algorithm were employed.The ligand molecules’ initial locations, orientations, and torsion angles were determined atrandom. During docking, all rotatable torsions were freed. Results: By interacting withamino acids located on the active site of the tyrosinase enzyme, bioactive substances likeGlycyrrhizin, Liquirtin, Glabridin, Umbelliferone, and Glabrene included in the Siddhaformulation exhibit substantial binding activity against the target protein. Conclusion: Itwas concluded that these compounds might exert promising anti-vitiligo properties.
文摘Background:The Siddha system of traditional medicine has historically been utilized to treat a wide range of illnesses,including noncommunicable diseases.With more than 62 million people in India already living with diabetes,the disease is quickly gaining the status of a possible epidemic.It has been demonstrated that this medical theory contains anti-diabetic substances.The goal of this work is to assess in silico computational investigations of the phytoconstituents in the traditional Siddha polyherbal preparation ABC,which is frequently used to treat diabetes.Method:Alpha-Glucosidase was used as the target enzyme in docking calculations for recovered phytocomponents.With the help of Auto Dock tools,necessary hydrogen atoms,Kollman unified atom type charges,and solvation parameters were added.The Lamarckian genetic algorithm and the Solis and Wets local search approach were used to simulate docking.Results:A total of 13 bioactive lead compounds were identified from the Siddha Formulation ABC.According to the herb’s stated data,the target enzyme Alpha-Glucosidase can interact with the phytochemicals Beta-Sitosterol,Amyrin,Lupeol,Arjunic acid,Arjungenin,Tinosporide,and Tembetarine up to four or five times.The second-placed substances,which had a maximum of two to three interactions with the target enzyme Alpha-Glucosidase,were betulonic acid,kaempferol,gallic acid,and barbaloin.Conclusion:The implementation of these formulations in future preclinical and clinical studies could result in the effective management of Type II Diabetes Mellitus.
