Organic Chemistry, Medicinal Chemistry, synthetic Chemistry, Green Chemistry, Material Chemistry
123
Scopus Publications
2090
Scholar Citations
28
Scholar h-index
57
Scholar i10-index
Scopus Publications
Recent Advances in Catalytic [5 + 3] Cycloadditions Smile, Vipan Kumar, Rupesh Kumar, Dinesh Mahajan, Gaurav Bhargava Advanced Synthesis and Catalysis, 2026 Higher‐order cycloadditions (HOCs) offer a robust and convergent strategy for the rapid assembly of complex molecular architectures. These transformations enable direct access to ring systems that are otherwise challenging to construct. Among them, the [5 + 3] cycloaddition has emerged as a versatile platform for the synthesis of eight‐membered carbo‐ and heterocycles, which are widely represented in bioactive natural products, pharmaceuticals, and functional materials. This review provides a comprehensive overview of developments in catalytic [5 + 3] cycloadditions from 2003 to the present, encompassing both transition metals and organocatalytic systems. Emphasis is placed on catalyst class, ligand design, activation mode, and substrate scope, as well as their influence on chemo‐, regio‐, and stereoselectivity, together with comparative performance data. Representative mechanistic proposals reported in the literature are discussed where relevant. Although most catalytic [5 + 3] processes proceed through stepwise pathways and are therefore best described as formal [5 + 3] cycloadditions, true pericyclic [5 π + 3 π ] cycloadditions are comparatively rare. Where applicable, this mechanistic distinction is clearly indicated in the corresponding sections.
Generation of a 3-Allyl/Propanylthiomethyl Ketene and their [4+2] Cycloadditions With 1,3-Diazabuta-1,3-dienes: Synthesis of 5-Allyl/propargyl-thio methyl Pyrimidinones Rayees Ahmad Naikoo, Rupesh Kumar, Gaurav Bhargava Chemistry and Biodiversity, 2026 The manuscript describes the explorations on [4+2] cycloaddition of newly in situ generated 3‐(allyl/propargyl‐thio)propanone as 2π‐components with functionalized 1,3‐diazabuta‐1,3‐dienes as 4π‐components for the synthesis of 5‐allyl/propargyl‐thio methyl pyrimidinones. The synthetic methodology is simple to operate, mild, and successful with a wide range of functionalized 1,3‐diazabuta‐1,3‐dienes in the development of functionalized pyrimidinones. The synthesis of these functionalized pyrimidinones is significant as functionalized pyrimidinones have diverse pharmacological relevance and are useful synthons for the synthesis of condensed heterocycles.
Recent Advances in [5 + 4] Cycloaddition Reactions: Catalysis, Mechanism, and Reaction Optimization Gobind Kumar, Archna, Safiyah Ghumran, Neha Manhas, Parvesh Singh, Rupesh Kumar, Gaurav Bhargava European Journal of Organic Chemistry, 2026 Medium‐sized rings, especially nine‐membered scaffolds, represent the core framework of several promising biologically active compounds. Among the various synthetic strategies reported, cycloaddition reactions, particularly [5 + 4] cycloaddition reactions, represent a unique and relatively underexplored class of pericyclic reactions that form the nine‐membered ring systems. However, the construction of a nine‐membered ring remains a significant challenge due to thermodynamic barriers, involving unfavorable enthalpic and entropic factors, as well as transannular interactions. Numerous catalytic systems have been developed to overcome these challenges. In this review article, we examined literature from 2000 to 2025 on [5 + 4] cycloaddition reaction, highlighting the role of various catalytic strategies such as metal catalysts, organocatalysts, and photocatalysts.
Visible-light mediated synthesis of bisthioglycolic acid derivatives via C-S bond formation complemented with DFT analysis Gobind Kumar, Sarthak Sharma, Garima Sharma, Parvesh Singh, Gaurav Bhargava, Jaspreet Kaur Rajput, Rupesh Kumar Phosphorus Sulfur and Silicon and the Related Elements, 2026 An innovative methodology has been developed to facilitate C-S bond formation, pioneering the synthesis of bisthioglycolic acid derivatives. This C-S bond formation is pivotal in synthesizing sulfur-containing bioactive scaffolds. Harnessing visible light as a plentiful, cost-effective, and eco-friendly catalyst and sustainable energy source holds immense potential for driving environmentally sensible innovations and advancing green technologies. The present protocols represent the first example of visible light-induced synthesis of bisthioglycolic acid derivatives. The methodology offered remarkable advantages such as solvent- and catalyst-free, cost-effectiveness, operational simplicity, environmentally benign reaction conditions, and excellent yields. Additionally, the DFT studies explored the global chemical reactivity properties of the synthesized compounds.
Design, Synthesis, and Anti-Inflammatory Activity of Functionalized 1,2,4,5-Tetrasubstituted-Pyrimidinone Rayees Ahmad Naikoo, Diljeet Kumar, Nusrit Iqbal Andrabi, Yassir Arfath, Hemender Singh, Rupesh Kumar, Zabeer Ahmed, Gaurav Bhargava Chemistry and Biodiversity, 2026 A highly efficient aza‐Michael addition reaction of 5‐amino pyrimidinones with α, β‐unsaturated olefins under optimized reaction conditions is reported. The resulting functionalized amino‐pyrimidinone‐based aza‐Michael mono‐adducts were obtained in good to excellent yields. These synthesized compounds were screened for their anti‐inflammatory potential in RAW264.7 macrophages. Among the synthesized compounds, we identified two derivatives, 3d and 3f , as potent anti‐inflammatory compounds. Our findings demonstrated that 3d and 3f maintained normal cell viability at the bioactive concentrations (1, 5, and 10 µM), effectively reduced the production of proinflammatory mediators such as nitric oxide and proinflammatory cytokines including interleukin‐6 and tumor necrosis factor‐α. In addition, immunoblotting results revealed that 3d and 3f downregulate the protein expression of i‐NOS and COX‐2 in LPS‐activated RAW264.7 macrophages. Furthermore, molecular docking was performed to elucidate the binding mechanism of these compounds and to establish a correlation between the in vitro results and the in silico data. Collectively, our results suggest that 3d and 3f attenuated the LPS‐induced inflammatory response in macrophages and can be a structural lead for the development of novel anti‐inflammatory agents.
Antidiabetic Evaluation of New Pyrimidine-Thiazoline Hybrids Endorsed With Enzyme Kinetic Studies and Computational Analysis Gobind Kumar, Pule Seboletswe, Neha Manhas, Safiyah Ghumran, Nontobeko Gcabashe, Gaurav Bhargava, Almahi Idris, Md. Shahidul Islam, Parvesh Singh Chemical Biology and Drug Design, 2025 The prevalence of diabetes mellitus (DM) poses a serious global health concern, given its substantial contribution to mortality rates. Millions of people worldwide are affected by this disease, which is associated with severe complications. Among the different strategies used to regulate diabetes, inhibition of carbohydrate‐hydrolyzing enzymes (α‐glucosidase and α‐amylase) has emerged as a promising therapeutic alternative. Accordingly, the present study explored the concept of molecular hybridization for synthesizing new pyrimidine‐thiazole molecular hybrids as potential α‐glucosidase and α‐amylase inhibitors and antioxidant agents. Among the tested hybrids, compound 8j emerged as the most potent inhibitor with 3‐fold (IC 50 = 36.23 ± 2.41 μM) more potency than standard drug acarbose (IC 50 = 103.25 ± 1.45 μM) against α‐glucosidase and 2‐fold (IC 50 = 38.42 ± 1.63 μM) greater potency than acarbose (IC 50 = 85.00 ± 0.85 μM) against α‐amylase. Compounds 8a (IC 50 = 37.84 μM) and 8j (IC 50 = 85.67 μM) displayed the strongest DPPH and NO scavenging activity, respectively, compared to ascorbic acid (IC 50 = 88.40 μM and 102.89 μM, respectively). In addition, kinetic studies revealed that compounds 4b , 8g , and 8j were noncompetitive inhibitors. Molecular docking studies were subsequently carried out to explore the protein‐ligand interactions of these compounds. The DFT studies further explored their reactivity characteristics while the ADME/T parameters revealed them to have more drug‐likeness properties than acarbose.
DES-Promoted Synthesis of 3,4-Dihydropyrimidinones and Their Antidiabetic and Antioxidant Evaluation Supported With Computational Studies Gobind Kumar, Sahil Mishra, Pule Seboletswe, Nontobeko Gcabashe, Lalitha Gummidi, Neha Manhas, Talent Makhanya, Gaurav Bhargava, Almahi Idris, Md. Shahidul Islam, Parvesh Singh Chemistry and Biodiversity, 2025 A series of 3,4‐dihydropyrimidinone (DHPM) derivatives was synthesized using a green deep eutectic solvent (DES) system composed of ZnCl2 and urea, which acted simultaneously as solvent, catalyst, and in situ substrate (urea). The synthesized compounds were evaluated for their antidiabetic potential via α‐glucosidase and α‐amylase inhibition assays, as well as for antioxidant activity using 2,2‐diphenyl‐1‐picrylhydrazyl (DPPH), ferric reducing antioxidant power (FRAP), and nitric oxide (NO) scavenging assays. Among the series, compound 3f exhibited superior inhibitory activity against α‐glucosidase (IC50 = 35.25 µM) and α‐amylase (IC50 = 38.61 µM), being ∼2.3‐ and ∼2.6‐fold more potent, respectively, than the standard drug acarbose. In antioxidant evaluations, compound 3i (IC50 = 35.60 µM) demonstrated ∼2.9‐fold higher activity than gallic acid in the DPPH assay, whereas 3d (IC50 = 30.70 µM) and 3a (IC50 = 44.52 µM) showed ∼3.8‐ and ∼1.5‐fold higher activity in FRAP and NO scavenging assays, respectively. Molecular docking studies revealed key hydrogen bonding interactions of 3f with the active site residues of both enzymes, supported by favorable docking scores. Furthermore, density functional theory (DFT) studies revealed favorable electronic and reactivity profiles, whereas ADME/T predictions indicated good drug‐likeness. Overall, compound 3f shows strong potential as a lead antidiabetic agent for managing postprandial hyperglycemia.
Recent Advances in Catalyst-Mediated [6 + 4] Cycloaddition Reactions: A Concise Review Gobind Kumar, Archna Archna, Sahil Mishra, Safiyah Ghumran, Neha Manhas, Rupesh Kumar, Parvesh Singh, Gaurav Bhargava European Journal of Organic Chemistry, 2025 Higher‐order cycloaddition reactions (CRs) are significant in providing quick access to different polycyclic and complex molecules. In particular, [6 + 4] CRs have been widely applied in the construction of 10‐membered rings, bridged molecules, and natural compounds. However, these reactions encounter several challenges, including achieving regio‐ and stereoselectivity, overcoming high activation energy barriers, and managing multiple reaction pathways. Over the past decade, numerous catalysts have been developed to address these challenges. The present review summarizes the reported research (2000–2024) on [6 + 4] CRs, highlighting various catalysts, including metal, Lewis acid, organocatalysts, and enzyme‐based catalysts.
Influence of Ba2+ substitution on Structural, Dielectric, Thermal and Electrical behavior of La1-xBaxCo0.50Fe0.50O3 {0.10≤ x≤ 0.40} Cathode for SOFC Research Journal of Chemistry and Environment, 2021
Thiosemicarbazonates of silver(I): Synthesis, spectroscopy and reactivity towards triphenylphosphine Indian Journal of Chemistry Section A Inorganic Physical Theoretical and Analytical Chemistry, 2003
RECENT SCHOLAR PUBLICATIONS
Recent Advances in [5+ 4] Cycloaddition Reactions: Catalysis, Mechanism, and Reaction Optimization G Kumar, Archna, S Ghumran, N Manhas, P Singh, R Kumar, G Bhargava European Journal of Organic Chemistry, e70514 , 2026 2026
Discovery of novel KRAS inhibitors: A computational study SK Wahan, Smile, PA Chawla, R Singh, R Sharma, G Bhargava, V Kumar, ... Journal of Computational Biophysics and Chemistry, 1-22 , 2026 2026
Concentrated solar light-driven rapid and neat synthesis of quinazolines: a greener, sustainable, and an efficient approach G Kumar, S Sharma, Archna, G Sharma, G Bhargava, JK Rajput, B Singh, ... Research on Chemical Intermediates, 1-16 , 2026 2026
Visible-light mediated synthesis of bisthioglycolic acid derivatives via C-S bond formation complemented with DFT analysis G Kumar, S Sharma, G Sharma, P Singh, G Bhargava, JK Rajput, ... Phosphorus, Sulfur, and Silicon and the Related Elements 201 (3), 308-317 , 2026 2026
Generation of a 3‐Allyl/Propanylthiomethyl Ketene and their [4+ 2] Cycloadditions With 1, 3‐Diazabuta‐1, 3‐dienes: Synthesis of 5‐Allyl/propargyl‐thio methyl Pyrimidinones RA Naikoo, R Kumar, G Bhargava Chemistry & Biodiversity 23 (1), e03144 , 2026 2026
Design, Synthesis, and Anti‐Inflammatory Activity of Functionalized 1, 2, 4, 5‐Tetrasubstituted‐Pyrimidinone RA Naikoo, D Kumar, NI Andrabi, Y Arfath, H Singh, R Kumar, Z Ahmed, ... Chemistry & Biodiversity 23 (1), e02861 , 2026 2026
Antidiabetic Evaluation of New Pyrimidine‐Thiazoline Hybrids Endorsed With Enzyme Kinetic Studies and Computational Analysis G Kumar, P Seboletswe, N Manhas, S Ghumran, N Gcabashe, ... Chemical Biology & Drug Design 106 (6), e70224 , 2025 2025
DES‐Promoted Synthesis of 3, 4‐Dihydropyrimidinones and Their Antidiabetic and Antioxidant Evaluation Supported With Computational Studies G Kumar, S Mishra, P Seboletswe, N Gcabashe, L Gummidi, N Manhas, ... Chemistry & Biodiversity 22 (12), e00969 , 2025 2025
Coconut waste–derived sulfonated magnetic biochar: an efficient catalyst for the synthesis of 2, 3-dihydroquinazolinone S Sharma, G Kumar, N Kaur, G Bhargava, R Kumar Research on Chemical Intermediates 51 (11), 6203-6223 , 2025 2025 Citations: 1
AIAD-Net: Extremely Random Forest Framework for Accurate Detection of Mirai and Bashlite IoT Botnet Attacks S Kumar, PN Kumar, V Bharathi, B Poojitha, VBS Reddy, GU Bhargava 2025 2nd International Conference on Recent Trends in Electrical … , 2025 2025
Recent Advances in Catalyst‐Mediated [6+ 4] Cycloaddition Reactions: A Concise Review G Kumar, A Archna, S Mishra, S Ghumran, N Manhas, R Kumar, P Singh, ... European Journal of Organic Chemistry 28 (37), e202500349 , 2025 2025 Citations: 1
Recent Developments in [8+ 2] Types Cycloadditions G Bhargava, SK Wahan, PA Chawla, R Kumar ChemistrySelect 10 (29), e03150 , 2025 2025 Citations: 1
Density Functional Study on Highly Energetic Nitro Compounds with Empirical Formula C m (NO 2 ) 4 ( m = 1–7) T Mahajan, H Sharma, G Bhargava ChemistrySelect 10 (26), e01423 , 2025 2025
High-temperature synergistic enhancement of structural, dielectric, and electrochemical properties in BiMnO3 and Ti-substituted Bi0. 50Nd0. 50Mn1-xTixO3 (x= 0.00, 0.05, and 0 … A Sen, S Paul, R Kumar, AM Mujawar, V Sharma, G Bhargava Ceramics International , 2025 2025 Citations: 1
Exploring the Multifunctional Properties of Ni 1– x Zn x Fe 2 O 4 ( x = 0, 0.1, 0.2, and 0.3) Ferrites Synthesized by Sol–Gel Citrate Approach A Sen, S Paul, S Rialach, K Shaheen, S Prerna, Manokamna, P Sharma, ... Physics of the Solid State 67 (5), 338-349 , 2025 2025 Citations: 1
Organic Dye‐Based Powder for the Visualization of the Latent Fingerprints and Cyanide Detection V Thakur, S Kumar, SS Ahmad, R Sharma, S Kaur, G Bhargava, P Singh ChemistrySelect 10 (13), e202500753 , 2025 2025 Citations: 3
Recent developments in the mechanochemical mediated innovative approaches for cycloaddition reactions SK Wahan, PA Chawla, Smile, R Kaur, G Bhargava Synthetic Communications 55 (5), 351-372 , 2025 2025 Citations: 2
Theoretical Investigations on [3, 3] Sigma tropic Rearrangements in 1‐Formyl‐2‐Vinyl Cyclobutane/Lactam T Mahajan, H Sharma, G Bhargava ChemistrySelect 10 (12), e202405339 , 2025 2025
Rapid and Environmentally‐Friendly Synthesis of Thiazolidinone Analogues in Deep Eutectic Solvent Complemented with Computational Studies G Kumar, P Seboletswe, N Gcabashe, S Dhawan, N Manhas, G Bhargava, ... ChemistryOpen 14 (2), e202400198 , 2025 2025 Citations: 1
A facile and one-pot synthesis of pyrimidinone thiazolidin-4-one bifunctional hybrids RA Naikoo, A Tabassum, R Kumar, N Tandon, G Bhargava Journal of Sulfur Chemistry 46 (1), 26-34 , 2025 2025 Citations: 2
MOST CITED SCHOLAR PUBLICATIONS
Diphenylpyrimidinone–salicylideneamine–new ESIPT based AIEgens with applications in latent fingerprinting P Singh, H Singh, R Sharma, G Bhargava, S Kumar Journal of Materials Chemistry C 4 (47), 11180-11189 , 2016 2016 Citations: 117
Nickel‐catalyzed [3+ 2+ 2] cycloadditions between alkynylidenecyclopropanes and activated alkenes L Saya, G Bhargava, MA Navarro, M Gulías, F López, I Fernández, ... Angewandte Chemie 122 (51), 10082-10086 , 2010 2010 Citations: 99
Palladium-catalyzed [3C+ 2C+ 2C] cycloaddition of enynylidenecyclopropanes: efficient construction of fused 5-7-5 tricyclic systems G Bhargava, B Trillo, M Araya, F Lopez, L Castedo, JL Mascarenas Chemical communications 46 (2), 270-272 , 2010 2010 Citations: 80
Self-assembled small molecule based fluorescent detection of serum albumin proteins: Clinical detection and cell imaging P Singh, LS Mittal, S Kaur, S Kaur, G Bhargava, S Kumar Sensors and Actuators B: Chemical 255, 478-489 , 2018 2018 Citations: 78
Self-assembled vesicle and rod-like aggregates of functionalized perylene diimide: reaction-based near-IR intracellular fluorescent probe for selective detection of palladium P Singh, LS Mittal, V Vanita, K Kumar, A Walia, G Bhargava, S Kumar Journal of Materials Chemistry B 4 (21), 3750-3759 , 2016 2016 Citations: 76
Bay functionalized perylenediimide as a deaggregation based intracellular fluorescent probe for perchlorate P Singh, LS Mittal, V Vanita, R Kumar, G Bhargava, A Walia, S Kumar Chemical Communications 50 (90), 13994-13997 , 2014 2014 Citations: 68
AIE+ ESIPT based red fluorescent aggregates for visualization of latent fingerprints H Singh, R Sharma, G Bhargava, S Kumar, P Singh New Journal of Chemistry 42 (15), 12900-12907 , 2018 2018 Citations: 62
Triple-signaling mechanisms-based three-in-one multi-channel chemosensor for discriminating Cu 2+, acetate and ion pair mimicking AND, NOR, INH and IMP logic functions P Singh, H Singh, G Bhargava, S Kumar Journal of Materials Chemistry C 3 (21), 5524-5532 , 2015 2015 Citations: 61
Perylene Diimide Appended with 8-Hydroxyquinoline for Ratiometric Detection of Cu 2+ Ions and Metal Displacement Driven “Turn on” Cyanide Sensing P Singh, LS Mittal, S Kumar, G Bhargava, S Kumar Journal of fluorescence 24 (3), 909-915 , 2014 2014 Citations: 59
Ionic Self‐Assembled Platform of Perylenediimide–Sodium Dodecylsulfate for Detection of Spermine in Clinical Samples P Singh, LS Mittal, G Bhargava, S Kumar Chemistry–An Asian Journal 12 (8), 890-899 , 2017 2017 Citations: 50
Self-assembled nanofibers of perylene diimide for the detection of hypochlorite in water, bio-fluids and solid-state: exogenous and endogenous bioimaging of hypochlorite in cells K Kumar, S Kaur, S Kaur, G Bhargava, S Kumar, P Singh Journal of Materials Chemistry B 8 (1), 125-135 , 2020 2020 Citations: 46
Self-assembled nanorods of bay functionalized perylenediimide: Cu 2+ based ‘turn-on’response for INH, complementary NOR/OR and TRANSFER logic functions and fluorosolvatochromism P Singh, K Kumar, G Bhargava, S Kumar Journal of Materials Chemistry C 4 (13), 2488-2497 , 2016 2016 Citations: 46
Rhodium‐Catalyzed Intramolecular [3+ 2+ 2] Cycloadditions between Alkylidenecyclopropanes, Alkynes, and Alkenes M Araya, M Gulías, I Fernández, G Bhargava, L Castedo, JL Mascareñas, ... Chemistry–A European Journal 20 (33), 10255-10259 , 2014 2014 Citations: 44
Perylene diimide-based organic π-motif for differentiating CN− and F− ions by electron-transfer and desilylation mechanisms: applications to complex logic circuits P Singh, LS Mittal, H Singh, G Bhargava, S Kumar New Journal of Chemistry 41 (18), 10281-10290 , 2017 2017 Citations: 43
Multifunctional metallo-supramolecular interlocked hexagonal microstructures for the detection of lead and thiols in water P Singh, LS Mittal, K Kumar, P Sharma, G Bhargava, S Kumar Chemical Communications 54 (68), 9482-9485 , 2018 2018 Citations: 42
Perylene diimide–Cu 2+ based fluorescent nanoparticles for the detection of spermine in clinical and food samples: a step toward the development of a diagnostic kit as a POCT … K Kumar, S Kaur, S Kaur, G Bhargava, S Kumar, P Singh Journal of Materials Chemistry B 7 (45), 7218-7227 , 2019 2019 Citations: 41
Controllable supramolecular self-assemblies (rods–wires–spheres) and ICT/PET based perylene probes for palladium detection in solution and the solid state K Kumar, G Bhargava, S Kumar, P Singh New Journal of Chemistry 42 (2), 1010-1020 , 2018 2018 Citations: 41
Near-IR discriminative detection of H2S and Cysteine with 7-nitro-2, 1, 3-benzoxadiazole-perylenediimide conjugate in water, live cells and solid state: Mimicking IMP, INH and … P Sharma, K Kumar, S Kaur, S Kaur, G Bhargava, S Kumar, P Singh Journal of Photochemistry and Photobiology A: Chemistry 388, 112151 , 2020 2020 Citations: 34
PASS-assisted exploration of antidepressant activity of 1, 3, 4-trisubstituted-β-lactam derivatives M Mittal, RK Goel, G Bhargava, MP Mahajan Bioorganic & medicinal chemistry letters 18 (20), 5347-5349 , 2008 2008 Citations: 34
A regio and diastereoselective transformation of 3-dienyl-2-azetidinones to novel pyrroloxazine A Anand, G Bhargava, V Kumar, MP Mahajan Tetrahedron Letters 51 (17), 2312-2315 , 2010 2010 Citations: 33