Chemistry, Materials Science, Physical and Theoretical Chemistry, Analytical Chemistry
3
Scopus Publications
70
Scholar Citations
4
Scholar h-index
2
Scholar i10-index
Scopus Publications
Energy-efficient synthesis of ZnO nanoparticles using white ash gourd fruit extract for their medicinal and environmental applications RAVI KANT, Monika, Anuj Mittal, Seema Indian Journal of Chemistry Ijc, 2025 This work reported the green synthesis of ZnO nanoparticles (NPs) using white ash gourd fruit juice. The synthesized NPs were characterized by various spectroscopic techniques like UV–visible, FTIR, Powder XRD and FE-SEM. These NPs displayed a prominent absorbance at 357 nm in UV–visible spectra. X-ray diffraction studies confirmed the formation of crystalline ZnO NPs with the wurtzite phase. The average particle size (D) of the synthesized ZnO NPs is found to be 40.48 nm. FE-SEM images revealed that synthesized ZnO NPs have nano-flaky structures. The prepared ZnO NPs achieved 99% photodegradation efficiency against MB dye in 90 min of irradiation of UV light. These synthesized NPs were also examined for three biological activities: Antimicrobial, antioxidant and anti-diabetic. Antimicrobial activity was found to be good to moderate. The synthesized ZnO NPs showed excellent anti-diabetic activity (α-amylase activity) compared to standard with IC50 value equal to 1.21µg/mL. For α-glucosidase, green synthesized ZnO NPs (IC50 value 0.23 µg/mL) exhibited excellent inhibition activity compared to standard Acarbose (IC50 value 0.24 µg/mL). ZnO NPs showed better antioxidant capability as well.
Quantitative structure activity relationship studies of androgen receptor binding affinity of endocrine disruptor chemicals with index of ideality of correlation, their molecular docking, molecular dynamics and ADME studies Surbhi Goyal, Payal Rani, Monika Chahar, Khalid Hussain, Parvin Kumar, Jayant Sindhu Journal of Biomolecular Structure and Dynamics, 2023 Endocrine disrupter chemicals (EDCs) are both natural and man-made chemicals that mimic, block or interfere with human hormonal system. In the present manuscript, QSAR modeling was performed for the androgen disruptors that interfere with biosynthesis, metabolism or action of androgens that causes adverse effects on male reproductive system. A set of 96 EDCs that exhibited affinity towards androgen receptors (Log RBA) in rats were employed for carrying out QSAR studies using Hybrid descriptors (combination of HFG and SMILES) through Monte Carlo Optimization. Using index of ideality of correlation (TF2), five splits were formed and predictability of five models resulting from these splits was assessed by various validation parameters. Models resulted from first split was the top most one with R2validation = 0.7878. Structural attributes responsible for change in endpoint were studied by employing correlation weights of structural attributes. In order to further validate the model, new EDCs were designed using these attributes. In silico molecular modelling studies were performed to assess the detailed interactions with the receptor. The binding energies of all the designed compounds were observed to be better than lead and are in the range of -10.46 to -14.80. Molecular dynamics simulation of 100 ns was performed for ED01 and NED05. The results revealed that the protein-ligand complex bearing NED05 was more stable than lead ED01 exhibiting better interactions with the receptor. Further, in an attempt to assess their metabolism, ADME studies were evaluated using SwissADME. The developed model enables to predict the characteristics of designed compounds in an authentic way.Communicated by Ramaswamy H. Sarma.
RECENT SCHOLAR PUBLICATIONS
Biosynthesized metallic nanoparticles for sustainable environmental remediation: mechanisms, applications, and future perspectives R Nain, H Patel, M Chahar, S Kumar, D Rohilla, M Pal Discover Chemistry 2 (1), 124 , 2025 2025 Citations: 41
Synthesis And Bioactivity Of Isoxazole-Derived Carboxamide And Carbohydrazide Derivatives: A Comprehensive Study M Chahar, NC Talniya Educational Administration: Theory and Practice 30 (5), 9361-9371 , 2024 2024
A Study Of The Heterocyclic Benzoxazole Derivatives Design, Synthesis, And Anti-Fungal Assessment M Chahar, N ChandraTalniya Educational Administration: Theory and Practice 30 (4), 2978-2988 , 2024 2024
Exploring Oxazole-Derived Heterocycles: Synthesis Strategies and Diverse Biological Activities for Potential Therapeutic Applications M Muskan, M Chahar, NC Talniya NATURALISTA CAMPANO 28 (1), 1817-1827 , 2024 2024
Analysis of good and bad fingerprint for identification of NIR based optical frameworks using Monte Carlo method S Goyal, P Rani, M Chahar, K Hussain, P Kumar, J Sindhu Microchemical Journal 196, 109549 , 2024 2024 Citations: 5
Quantitative structure activity relationship studies of androgen receptor binding affinity of endocrine disruptor chemicals with index of ideality of correlation, their … S Goyal, P Rani, M Chahar, K Hussain, P Kumar, J Sindhu Journal of Biomolecular Structure and Dynamics 41 (23), 13616-13631 , 2023 2023 Citations: 13
Design, Synthesis, and Evaluation of Isoxazole-Based Compounds for Exploring Novel Biological Activities and Pharmacokinetic Profiles MC Naina, NC Talniya Atomic Spectroscopy-Part C 44 (3), 197-206 , 2023 2023
An Investigation on Optimization techniques used to recovery of cadmium from E-waste by Electrowinning process A Kumar, M Chahar, A Dhaka Eur. Chem. Bull. 12 (9), 1899-1910 , 2023 2023
Electrowinning Process In Cadmium Recovery From E-Waste A Dhaka, DM Chahar, DA Kumar International Journal of Innovation In Engineering Research … , 2023 2023
Synthesis Of Some New Thiazolyl Chromenone Derivatives By Using α,α- Dibromoketones Pooja, M Chahar, Parul, V Kiran, J Sangwan IJRTS Journal of Research 24 (1), 65-75 , 2023 2023
Synthesis and characterisation of two component polyurethane coatings blended with phthalic anhydride formed with TDI MC Preeti, U Vashisht, AA Pooja International Journal of Materials Science 4 (1), 21-26 , 2023 2023
α,α- Dibromoketones in the preparation of new hydrazinyl thiazole derivatives Parul, M Chahar, V Kiran, Pooja, J Sangwan IJRTS Journal of Research 23 (1), 30-37 , 2022 2022
Synthetic Study of Bischromones using KI and I2 M Chahar, A Narwal NeuroQuantology 20 (15), 4635 , 2022 2022
Synthesis of Some new and facile thiadiazoles with the help of Iodobenzene diacetate M Chahar, V Kiran, J Sangwan NeuroQuantology 20 (11), 8561 , 2022 2022
Kinetic study and Mechanistic Interpretation of Mono-4-Nitrophenyl Phosphate ester via Neutral species M Chahar NeuroQuantology 20 (9), 5445 , 2022 2022
Research On Solid State Dye Laser Materials Synthesized from Raw Polymer Doped With Laser Dye A Ahlawat, M Chahar, N Sangwan, Pooja, Preeti, J Sangwan International Journal of Science, Mathematics and Technology Learning 30 (2 … , 2022 2022
Preparation and Characterization of Castor Oil Based Polyurethane and Spectroscopic Characterization of Castor Oil Based Polyol Preeti, M Chahar, U Vashisht IJRTS Journal of Research 23 (1), 1-6 , 2022 2022
Synthesis, Characterization and Applications of Adipic Acid and Thiourea Based Template Mediated Complexes Doped With Metal (II) Sulphates P Sindhu, M Chahar, S Singhal, N Gandhi Journal of Northeastern University 25 (4), 858-870 , 2022 2022
Synthesis of Template Mediated Doped Complex with Thiourea and Phthalic Acid P Sindhu, M Chahar, S Singhal, Anjali Ahlawat Asian Journal of Organic & Medicinal Chemistry 7 (2), 1-7 , 2022 2022
Study of Optical properties of saffron dye doped silica based material M Chahar, A Ahlawat GIS SCIENCE JOURNAL 9 (1), 72-79 , 2022 2022
MOST CITED SCHOLAR PUBLICATIONS
Biosynthesized metallic nanoparticles for sustainable environmental remediation: mechanisms, applications, and future perspectives R Nain, H Patel, M Chahar, S Kumar, D Rohilla, M Pal Discover Chemistry 2 (1), 124 , 2025 2025 Citations: 41
Quantitative structure activity relationship studies of androgen receptor binding affinity of endocrine disruptor chemicals with index of ideality of correlation, their … S Goyal, P Rani, M Chahar, K Hussain, P Kumar, J Sindhu Journal of Biomolecular Structure and Dynamics 41 (23), 13616-13631 , 2023 2023 Citations: 13
Preparation and spectral investigations of neodymium oxide doped polymethylmethacrylate based laser material M Chahar, V Ali, S Kumar International Journal of Scientific and Research Publications 2, 2250-3153 , 2012 2012 Citations: 7
Analysis of good and bad fingerprint for identification of NIR based optical frameworks using Monte Carlo method S Goyal, P Rani, M Chahar, K Hussain, P Kumar, J Sindhu Microchemical Journal 196, 109549 , 2024 2024 Citations: 5
Spectral Investigations of Kiton red-620 doped Polymethylmethacrylate VASK Monika Chahar J. Materials Sciences and Applications 3 (10), 669-673 , 2012 2012 Citations: 4
Synthesis And Bioactivity Of Isoxazole-Derived Carboxamide And Carbohydrazide Derivatives: A Comprehensive Study M Chahar, NC Talniya Educational Administration: Theory and Practice 30 (5), 9361-9371 , 2024 2024
A Study Of The Heterocyclic Benzoxazole Derivatives Design, Synthesis, And Anti-Fungal Assessment M Chahar, N ChandraTalniya Educational Administration: Theory and Practice 30 (4), 2978-2988 , 2024 2024
Exploring Oxazole-Derived Heterocycles: Synthesis Strategies and Diverse Biological Activities for Potential Therapeutic Applications M Muskan, M Chahar, NC Talniya NATURALISTA CAMPANO 28 (1), 1817-1827 , 2024 2024
Design, Synthesis, and Evaluation of Isoxazole-Based Compounds for Exploring Novel Biological Activities and Pharmacokinetic Profiles MC Naina, NC Talniya Atomic Spectroscopy-Part C 44 (3), 197-206 , 2023 2023
An Investigation on Optimization techniques used to recovery of cadmium from E-waste by Electrowinning process A Kumar, M Chahar, A Dhaka Eur. Chem. Bull. 12 (9), 1899-1910 , 2023 2023
Electrowinning Process In Cadmium Recovery From E-Waste A Dhaka, DM Chahar, DA Kumar International Journal of Innovation In Engineering Research … , 2023 2023
Synthesis Of Some New Thiazolyl Chromenone Derivatives By Using α,α- Dibromoketones Pooja, M Chahar, Parul, V Kiran, J Sangwan IJRTS Journal of Research 24 (1), 65-75 , 2023 2023
Synthesis and characterisation of two component polyurethane coatings blended with phthalic anhydride formed with TDI MC Preeti, U Vashisht, AA Pooja International Journal of Materials Science 4 (1), 21-26 , 2023 2023
α,α- Dibromoketones in the preparation of new hydrazinyl thiazole derivatives Parul, M Chahar, V Kiran, Pooja, J Sangwan IJRTS Journal of Research 23 (1), 30-37 , 2022 2022
Synthetic Study of Bischromones using KI and I2 M Chahar, A Narwal NeuroQuantology 20 (15), 4635 , 2022 2022
Synthesis of Some new and facile thiadiazoles with the help of Iodobenzene diacetate M Chahar, V Kiran, J Sangwan NeuroQuantology 20 (11), 8561 , 2022 2022
Kinetic study and Mechanistic Interpretation of Mono-4-Nitrophenyl Phosphate ester via Neutral species M Chahar NeuroQuantology 20 (9), 5445 , 2022 2022
Research On Solid State Dye Laser Materials Synthesized from Raw Polymer Doped With Laser Dye A Ahlawat, M Chahar, N Sangwan, Pooja, Preeti, J Sangwan International Journal of Science, Mathematics and Technology Learning 30 (2 … , 2022 2022
Preparation and Characterization of Castor Oil Based Polyurethane and Spectroscopic Characterization of Castor Oil Based Polyol Preeti, M Chahar, U Vashisht IJRTS Journal of Research 23 (1), 1-6 , 2022 2022
Synthesis, Characterization and Applications of Adipic Acid and Thiourea Based Template Mediated Complexes Doped With Metal (II) Sulphates P Sindhu, M Chahar, S Singhal, N Gandhi Journal of Northeastern University 25 (4), 858-870 , 2022 2022