Elucidating the plant growth potential of triazole conjoined silatrane on Cajanus cajan and its in silico approach

Abstract

Germination is a process that can alter the composition of nutrients and antinutrients in legume seeds. In the current study, a modified Schiff base triazole conjoined silatrane compound was synthesized through copper(I) catalyzed alkyne azide cycloaddition (CuAAC) reaction which was characterized using ¹H NMR, ¹³C NMR and mass spectrometry. The synthesized compound 6 has emerged as a promising plant growth regulator for the economically important plant, Cajanus cajan (C. cajan), the sixth most extensively cultivated legume. The influence of varying concentrations of compound 6 on plant bioassays, encompassing various parameters were investigated and compared against a control group. Among the concentrations tested, compound 6 at 5 mg L⁻¹ exhibited notable potency, outperforming both other dosages and the control group across most of the evaluated metrics. A computational molecular docking study was conducted to analyze the binding interaction between compound 6 and plant growth protein, revealing a favorable binding energy of −7.41 kcal mol⁻¹. The docking outcomes achieved with compound 6 were validated by comparing them with the results obtained using a commercially accessible PGR, paclobutrazol exhibiting −3.87 kcal mol⁻¹, indicating usage of compound 6 as an effective plant growth regulator with enhanced efficacy for future applications.