Sharma, VenuSharma, SupriyaMehra, RukmankeshK Kapoor, KamalK Dhar, ManojKaul, Sanjana2023-08-092023-08-092022-02Sharma Venu, Sharma Supriya, Mehra Rukmankesh, K Kapoor Kamal, K Dhar Manoj, Kaul Sanjana. Anti-bacterial activity of neoandrographolide derivatives: In silico interaction with the bacterial target. Indian Journal of Biochemistry & Biophysics. 2022 Feb; 59(2): 157-1640019-51890975-1009http://imsear.searo.who.int/handle/123456789/221483Natural products and their semi synthesized molecules have been used as efficient antibiotics since a long time. The present global health scenario has raised the demand for novel antimicrobial agents and drug targets that are effective against drug resistant pathogens, emerging infections etc. The current study has promoted the antibacterial activity of the glucoside labdane ‘neoandrographolide’, isolated from the methanolic extract of the medicinal plant Andrographis paniculata. Further modification at its glucoside hydroxyl groups to generate ester and acetonide derivatives was done and the antibacterial potential of these compounds was screened against common bacterial pathogens. Among various derivatives, 4?,6?-O-(4-methoxybenzylidene) neoandrographolide exhibited promising results. In addition, molecular modeling study of the active compound was also explored to identify its probable binding mode on the bacterial target. The present study reported antibacterial activity of neoandrographolide derivatives for first time and also the bioactive molecule, 4?,6?-O-(4-methoxybenzylidene) neoandrographolide was examined as a potent antibacterial agent against different strains.Andrographis paniculataAntimicrobial activityLabdane diterpenesMolecular modelingSemi-synthetic derivativeJournal ArticleIndiaSchool of BiotechnologyIndian Institute of Integrative Medicines, Jammu-180 001, Jammu & Kashmir, IndiaDepartment of Chemistry, University of Jammu, Jammu 180 006, Jammu & Kashmir, India