Green chemistry involves the design and development of products and processes that minimize or eliminate the use and generation of chemicals hazardous to the environment and human health. The principles of green chemistry involve the development of green catalysts and use of non-toxic reagents. Green chemistry emphasizes the use of reactions improved atom efficiency, use of solvent-free or environmentally benign recyclable solvent system and the use of renewable resources. Nowadays, green chemistry plays a new paradigm in the field of agriculture. Sustainable agriculture and green chemistry are both revolutionary fields and intertwined. In the last few years, for sustainable production in agriculture use of renewable biomass resources increases to generate bio-based food products with low inputs, zero waste, substantial social values and minimizing environmental impact. This article provides a good insight into green chemistry principles in sustainable agriculture.

In the current report, 3D structures of the enzyme Lathyrus aphaca Ribulose bisphosphate carboxylase (LArbcL) was modeled using homology modeling. The structures of the synthesized β‐amino carbonyl derivatives were made by means of “Chem Draw ultra‐12.0”, ADMET prediction were conducted to compute physicochemical properties. Pharmacokinetics studies and the molecular docking study of the synthesized compounds were performed against Lathyrus aphaca Ribulose bisphosphate carboxylase. Docking experiments verified a significant Docking Score values between 6.2 to 7.3 kcal mol−1. The highest‐ranking complexes obtained from docking results were subjected to 100 ns Molecular Dynamics simulations using Gromacs program to investigate the constancy of the docked “protein–ligand complexes” as well as the oscillation and conformational variations that occur during protein–ligand interaction. The synthesized derivatives were screened for pre‐emergence and post‐emergence herbicidal activity adjacent to weed species named Lathyrus aphaca with concentrations of “0.005 M, 0.01 M and 0.02 M”, and the activity was compared with Butachlor and penoxulum which are standard herbicide. Every single synthesized compounds show good to moderate activity.

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A simple and efficient one-pot three-component synthesis of Mannich type reaction has been developed using recyclable Fe +3 -montmorillonite K10 (Fe +3 @K10) under solvent-free condition. The reaction of aromatic aldehydes, aromatic anilines and aryl ketones produced β-amino carbonyl derivatives in good to excellent yields. The developed method making use of a recyclable catalyst is economical and eco-friendly and affords good yields under mild reaction conditions.

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