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1.
J Contam Hydrol ; 264: 104365, 2024 May.
Article in English | MEDLINE | ID: mdl-38776560

ABSTRACT

Microplastics pollution is killing human life, contaminating our oceans, and lasting for longer in the environment than it is used. Microplastics have contaminated the geochemistry and turned the water system into trash barrel. Its detection in water is easy in comparison to soil and air so the attention of researchers is focused on it for now. Being very small in size, microplastics can easily cross the water filtration system and end up in the ocean or lakes and become the prospective challenge to aquatic life. This review piece provides the hot research theme and current advances in the field of microplastics and their eradication through the virtual world of artificial intelligence (AI) because Microplastics have confrontation with clean water tactics.


Subject(s)
Artificial Intelligence , Environmental Monitoring , Microplastics , Water Pollutants, Chemical , Microplastics/analysis , Water Pollutants, Chemical/analysis , Environmental Monitoring/methods
2.
J Biomol Struct Dyn ; 42(7): 3826-3835, 2024 Apr.
Article in English | MEDLINE | ID: mdl-37232451

ABSTRACT

Nature is full of a bundle of medicinal substances and its product perceived as a prerogative structure to collaborate with protein drug targets. The natural product's (NPs) structure heterogeneity and eccentric characteristics inspired scientists to work on natural product-inspired medicine. To gear NP drug-finding artificial intelligence (AI) to confront and excavate unexplored opportunities. Natural product-inspired drug discoveries based on AI to act as an innovative tool for molecular design and lead discovery. Various models of machine learning produce quickly synthesizable mimetics of the natural products templates. The invention of novel natural products mimetics by computer-assisted technology provides a feasible strategy to get the natural product with defined bio-activities. AI's hit rate makes its high importance by improving trail patterns such as dose selection, trail life span, efficacy parameters, and biomarkers. Along these lines, AI methods can be a successful tool in a targeted way to formulate advanced medicinal applications for natural products. 'Prediction of future of natural product based drug discovery is not magic, actually its artificial intelligence'Communicated by Ramaswamy H. Sarma.


Subject(s)
Artificial Intelligence , Biological Products , Drug Discovery , Machine Learning , Intelligence , Biological Products/pharmacology , Biological Products/chemistry , Drug Design
3.
An Acad Bras Cienc ; 95(suppl 1): e20220964, 2023.
Article in English | MEDLINE | ID: mdl-37466542

ABSTRACT

The present study aimed to identify the bioactive constituents in the chloroform extract of H. spicatum rhizomes (HS-RCLE), further evaluated for its in-vitro pesticidal activities validating via molecular docking techniques. GC/MS analysis of HS-RCLE identified 14 compounds contributing 84.1 % of the total composition. The extract was dominated by oxygenated sesquiterpenes (43.1 %) with curcumenone (25.2 %) and coronarin E (14.8 %) as the major compounds. The extract recorded 89.4 % egg hatchability inhibition and 82.6 % immobility of Meloidogyne incognita, 66.7 % insecticidal activity on Spodoptera litura, 100 % phytotoxic activity on Raphanus raphanistrum seeds, and 74.7 % anti-fungal activity on Curvularia lunata at the respective highest dose studied. The biological activities were furthermore validated by using docking studies on certain proteins/enzymes namely acetylcholinesterase (PBD ID: IC2O), carboxylesterase (PDB ID: 1CI8), acetohydroxyacid synthase (PBD ID: 1YHZ) and trihydroxy naphthalene reductase (PBD ID: 3HNR). The bioactivity of the major constituents of the extract was predicted with the help of in silico PASS studies. HS-RCLE was observed to be a viable alternative source of natural pesticidal agents and paves the way for further studies on its mechanistic approaches and field trials to ascertain its pesticidal studies.


Subject(s)
Pesticides , Zingiberaceae , Chloroform , Molecular Docking Simulation , Acetylcholinesterase , Plant Extracts/pharmacology , Plant Extracts/chemistry
4.
Heliyon ; 9(2): e13321, 2023 Feb.
Article in English | MEDLINE | ID: mdl-36755581

ABSTRACT

A sustainable ceramic membrane embedded with silver has been developed using quartz, kaolin and calcium carbonate. All the chemicals involved in this process were commonly available, non-toxic and cheap. The process was very simple, convenient and does not involve any wastage of water. Decoration of silver particles onto the porous ceramic membrane with the help of APTES as a connecting molecule leads to the formation of a durable material having strong antibacterial capacity. The fabricated membrane holds wide pore morphology with pore size of 4.4 µm and average porosity of 19.5% with an estimated cost of fabrication of about 60 dollar/m2. The membrane was found capable in reducing the TDS, BOD and COD of water samples that confirms that it is efficient for water treatment applications.

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