Shankar G Alegaon

Scopus Publications

Molecular structure, reactivity, and anti-breast cancer potential of quinazoline–pyrimidine hybrids against MDA-MB-231 cells: a combined experimental and computational study
Kiran Donkari, Shankar G. Alegaon, Niteen R. Sutar, Sachin Gudasi, Sampada P. Ganpule, Rohini S. Kavalapure, B.R. Prashantha kumar, Subhas S. Karki
Journal of Molecular Structure, 2026
New pyrimidine compounds as potent anti-breast cancer agents: synthesis, biological evaluation and computational studies
Niteen R. Sutar, Shankar G. Alegaon, Shankar Gharge, Shriram D. Ranade, Praveen A. Kamble
Bioorganic Chemistry, 2026
Synthesis and evaluation of quinoline–quinazoline hybrids as potential EGFR inhibitors
Rohini S. Kavalapure, Shankar G. Alegaon, Shankar Gharge, Shriram D. Ranade, B.R. Prashantha Kumar, Ramith Ramu, V.H. Pushpa
Results in Chemistry, 2026
A novel series of quinoline-quinazoline hybrid derivatives (7a–7n) was designed, synthesized, and evaluated for anticancer potential, EGFR inhibition, and mechanistic insights. The target compounds were efficiently prepared via a multistep synthetic route involving the condensation of quinoline-aldehyde intermediates with 2-amino benzohydrazide, and their structures were confirmed through FTIR, 1 H NMR, 13 C NMR, and mass spectrometry. In vitro cytotoxicity assessment against MCF7 breast cancer and Vero normal kidney epithelial cell lines revealed that compounds 7f, 7j, 7k, and 7g exhibited significant anticancer activity at low micromolar concentrations, with favorable selectivity indices highlighting preferential cytotoxicity toward cancer cells. Flow cytometric analysis using Annexin V-FITC/PI staining demonstrated that compound 7f induced substantial apoptosis, with total apoptotic rates (~73%) comparable to the reference EGFR inhibitor Lenvatinib (~76%). Cellular uptake studies using Rhodamine B and DAPI staining confirmed efficient internalization of 7f into MCF7 cells, predominantly in the cytoplasmic compartment. In vitro EGFR kinase assays revealed that 7f was the most potent inhibitor of the series (IC 50 : 2.461 μM), with structure–activity relationships indicating that electron-donating substituents and hydrogen bond-capable moieties enhance EGFR binding. Molecular docking studies elucidated key interactions of 7f within the ATP-binding pocket, notably hydrogen bonding with Cys773 and Pro770, along with hydrophobic and π–π stacking interactions stabilizing the ligand. Molecular dynamics simulations over 100 ns further confirmed the stability of the EGFR–7f complex, with low RMSD/RMSF fluctuations and persistent interactions of critical residues. Collectively, these findings suggest that quinoline-quinazoline hybrids, particularly 7f, represent promising leads for further development as selective EGFR-targeted anticancer agents. • Quinoline-quinazoline hybrids (7a–7n) were efficiently synthesized and structurally confirmed. • Compounds 7f, 7j, 7k, and 7g showed potent, selective cytotoxicity against MCF7 cells. • Compound 7f induced ~73% apoptosis, comparable to Lenvatinib (~76%). • 7f exhibited strong EGFR inhibition (IC 50 : 2.461 μM) with SAR favouring electron-donating groups. • Docking and 100 ns MD simulations confirmed stable binding via H-bonds, hydrophobic, and π–π interactions.
Heterocyclic compounds with diverse biological activities: A review of quinazoline and quinazolinone derivatives
Aditi Kalakwade, Rohini S. Kavalapure, Shankar Gharge, Shankar G. Alegaon, Shriram D. Ranade, Ling Shing Wong, Ramith Ramu
Results in Chemistry, 2026
Quinazoline and its derivative quinazolinone represent a vital class of nitrogen-containing heterocyclic compounds known for their diverse and potent biological activities. These scaffolds feature a fused benzene - pyrimidine ring system and occur in several isomeric forms, with quinazoline and quinazolinone being the most pharmacologically significant. Various classical and modern synthetic methods have been employed to develop quinazoline/quinazolinone-based frameworks. Quinazoline derivatives have demonstrated a wide array of therapeutic properties, including anticancer, antibacterial, antifungal, antidiabetic, anti-inflammatory, anticonvulsant, antiviral, antimalarial, and antitubercular effects. Many of these compounds have progressed to clinical use due to their high efficacy and favorable drug-like profiles. This review summarizes the biological activities of quinazoline and its derivatives, while also highlighting recent advancements in their synthesis and medicinal applications reported from 2016 to 2025, with particular emphasis on their therapeutic potential and emerging trends in drug discovery.
Modulating glucose homeostasis via expression of PPAR-γ TF: Pharmacological insights into quinolone-based hydrazones
Naik Jui Pravin, Rohini S. Kavalapure, Shankar Gharge, Shankar G. Alegaon, Shriram D. Ranade, Rahul Koli, B.R. Prashantha Kumar, Sachin Gudasi, Vilas Gowda K B, Ramith Ramu
European Journal of Medicinal Chemistry, 2025
Computational and experimental repositioning of quinoline analogues as KSP inhibitors: insights from free energy landscape and PCA analysis
Shankar G. Alegaon, Shriram D. Ranade, Shankar Gharge, Rohini S. Kavalapure, Venkatasubramanian Ulaganathan
Journal of Computer Aided Molecular Design, 2025
FOCUSED INSIGHTS INTO ALZHEIMER’S TREATMENT STRATEGIES: PHARMACOPHORE MODELLING, DFT STUDIES, MD SIMULATIONS AND SH-SY5Y NEUROPROTECTION OF NARINGIN
SINDHU T. J., JAINEY P. JAMES, ZAKIYA FATHIMA C., RAJALAKSHIMI VASUDEVAN, SHANKAR G. ALEGAON
International Journal of Applied Pharmaceutics, 2025
Objective: Alzheimer's disease (AD) is a multifactorial neurodegenerative disorder involving oxidative stress, protein aggregation, and neurotransmitter imbalance. This study aimed to evaluate the neuroprotective potential of Drynaria quercifolia (DQ) phytoconstituents, particularly DQ5 (naringin), using in silico, in vitro, and pharmacological analyses for multitargeted AD therapy. Methods: Phytocompounds from DQ were analysed through molecular docking to assess binding affinities with AD-related targets, including acetylcholinesterase (AChE), monoamine oxidase-B (MAO-B), and peroxiredoxin-5 (Prdx-5). DQ5 (naringin) was further evaluated using molecular dynamics (MD) simulations and pharmacophore modelling. Density Functional Theory (DFT) was employed to assess molecular stability and reactivity. In vitro assays measured AChE, MAO-B, tyrosinase inhibition, and hydrogen peroxide scavenging. Neuroprotective effects were evaluated using MTT assay on SH-SY5Y neuroblastoma cells. Results: Molecular docking showed strong binding of DQ5 to AChE (-14.182 kcal/mol) and MAO-B (-13.393 kcal/mol). MD simulations confirmed complex stability. DQ5 (naringin) exhibits high stability in its gas-phase optimised structure, and its small HOMO-LUMO gap indicates it may be quite reactive, which could contribute to its biological activity. DQ5 inhibited AChE (IC₅₀ = 8.05±1.02 µg/ml) and 90% SH-SY5Y cell viability. Pharmacokinetic predictions supported favourable drug-likeness and safety profiles. Conclusion: DQ5 (naringin), a key metabolite from DQ, exhibits significant multitarget activity against AD-related enzymes and oxidative stress. The compound's pharmacological properties and neuroprotective effects highlight its promise as a natural therapeutic candidate for addressing multiple pathways involved in AD pathogenesis.
Sulfonamides: a versatile scaffold for diverse biological activity
Samiksha J. Kokre, Rohini S. Kavalapure, Sushmitha S. Huddi, Shankar Gharge, Shankar G. Alegaon, Shriram D. Ranade, Meenaxi M. Maste, Ling Shing Wong, Ramith Ramu, D. Venu
Results in Chemistry, 2025
Sulfonamides remain a cornerstone of medicinal chemistry, serving as a versatile scaffold for the design of clinically significant therapeutics. While previous reviews have summarized their broad biological activities, this article uniquely integrates recent advances (2012–2024) in sulfonamide-based drug discovery with a focus on the rational design of potent and selective analogues. Beyond their classical antibacterial role, sulfonamide derivatives have shown emerging potential against cancer, diabetes, neurodegenerative and inflammatory disorders, and psychiatric diseases. This review emphasizes structure–activity relationship (SAR) insights, innovative scaffold engineering, bioisosteric modifications, and hybrid molecule design strategies that have reshaped the pharmacological landscape of sulfonamides. By synthesizing these developments, we provide a comprehensive, mechanism-informed perspective that bridges chemistry and biology, highlighting how contemporary synthetic strategies and molecular insights enable the creation of next-generation therapeutics. This integrative approach offers a clear roadmap for future research, underscoring the evolving relevance and therapeutic promise of sulfonamide scaffolds. • Sulfonamides act as flexible scaffolds in drug design, effectively mimicking protein structures. • . Sulfonamide derivatives show diverse bioactivities such as antidiabetic, anticancer, and anti-inflammatory effects. • Advances in sulfonamide synthesis have improved their availability for modern drug discovery. • This review highlights key developments of sulfonamides in medicinal chemistry from 2010-2024.
Repositioning of rhodanine-thiazole hybrids as aldose reductase inhibitors
Shankar Gharge, Shankar G. Alegaon, Shriram D. Ranade, Rohini S. Kavalapure
Medicine in Drug Discovery, 2025
• Rhodanine acetic acid derivatives showed superior aldose reductase inhibition compared to rhodanine derivatives. • Compound 7i (4-fluoro rhodanine acetic acid) was the most potent inhibitor, outperforming Quercetin. • Kinetic studies revealed 7i as a reversible, non-competitive inhibitor of aldose reductase. • Molecular docking and dynamics confirmed strong, stable binding of 7i with key interactions at the AR active site. • Computational analyses demonstrated 7i’s ability to modulate protein dynamics, supporting its therapeutic potential for diabetes. This study investigates the aldose reductase (AR) inhibitory potential of a series of synthesized rhodanine-thiazole hybrids (7a–7 l) through a combination of biological assays and computational modeling. The derivatives were divided into two categories: rhodanine (7a–7f) and rhodanine acetic acid derivatives (7 g–7 l). Biological evaluation revealed that rhodanine acetic acid derivatives demonstrated superior AR inhibition, with IC 50 values ranging from 6.87 to 9.07 µM, compared to rhodanine derivatives (11.79–15.90 µM). Among them, compound 7i (4-fluoro rhodanine acetic acid) exhibited the highest potency (IC 50 = 6.87 ± 1.22 µM), outperforming the standard Quercetin. Kinetic studies confirmed 7i as a reversible, non-competitive inhibitor (Ki = 6.87 µM), indicating interaction at an allosteric site of AR. Molecular docking using Schrödinger’s Glide XP mode against AKR1B1 (PDB ID: 4JIR) revealed that 7i had the most favorable docking score (−10.02) and binding energy (−67.51 kcal/mol), surpassing the standard inhibitor Epalrestat. Molecular dynamics simulations (200 ns) for 7 h and 7i indicated stable binding within the active site, with TRP111 identified as a key interacting residue. Interaction profiling revealed consistent hydrogen bonding and hydrophobic interactions, especially for 7i. Further, Principal Component Analysis (PCA) and Free Energy Landscape (FEL) analysis confirmed the stability of the 7i-bound complex, showing a dominant low-energy conformation. Dynamic Cross-Correlation Matrix (DCCM) analysis suggested that 7i enhances protein stability by modulating internal dynamics. Overall, 7i emerges as a promising AR inhibitor with potential therapeutic relevance for diabetic complications.
Design and Cytotoxic Assessment of Novel Quinazoline Schiff Bases against A549 Cells: Unlocking Anticancer Potential
V. Kuthe, S. G. Alegaon, R. S. Kavalapure, S. Gharge, S. D. Ranade
Russian Journal of Organic Chemistry, 2025
Abstract This study focused on the design, synthesis, and evaluation of novel quinazoline Schiff bases as potent inhibitors of epidermal growth factor receptor tyrosine kinase (EGFR-TK), with an emphasis on their antiproliferative effect against A549 lung cancer cell line. The compounds were computationally designed and synthesized, and molecular docking studies were conducted to examine their interactions within the EGFR-TK binding pocket. Molecular dynamics simulations were performed to assess the stability and conformational behavior of the hybrids, while Density Functional Theory (DFT) calculations were employed to validate their optimized geometries. Among the synthesized compounds, three analogues demonstrated significant inhibitory activity. In particular, compound 6b featuring a p-hydroxyphenyl group showed an IC50 of 1.44±1.07 µg/mL, while compound 6f with a 4-fluorophenyl moiety showed an IC50 of 1.58±1.25 µg/mL. and compound 6h with a 3,4-dimethoxyphenyl moiety exhibited an IC50 of 1.7±1.32 µg/mL. Erlotinib used as reference drug displayed an IC50 of 7.32±0.52 µg/mL. Molecular modeling identified key structural features contributing to the observed activities. This comprehensive study highlights the potential of quinazoline Schiff bases as promising EGFR-TK inhibitors, offering insights into their structural optimization and interactions for cancer therapy.
Structure-guided development of Quinoline derivatives targeting kinesin spindle protein
Rohini S. Kavalapure, Shankar G. Alegaon, Shankar Gharge, Shriram D. Ranade, Sachin Gudasi, U. Venkatasubramanian, Soundarya Priya A.
Bioorganic and Medicinal Chemistry Letters, 2025
Synthesis and In vitro Biological Evaluation of Quinolone-Based Hydrazones as Potential Antidiabetic Agents Targeting Key Metabolic Enzymes
Naik Jui Pravin, Rohini S. Kavalapure, Shankar Gharge, Shankar G. Alegaon, Shriram D. Ranade, Ling Shing Wong, Ramith Ramu, Ramya C M
ACS Omega, 2025
Cytotoxic Potential of Newly Synthesized 4-Aminoquinoline Hybrids on MDA-MB-231 Cells: Insights from Pharmacophore Modeling and Molecular Dynamics Simulation
A. A. Mattikopp, S. G. Alegaon, S. Gharge, S. D. Ranade, R. S. Kavalapure
Russian Journal of Bioorganic Chemistry, 2025
Cytotoxic Potential of Newly Synthesized Quinoline–Bearing Dihydropyridine Hybrids on A549 Lung Cancer Cells
V. Kuthe, S. G. Alegaon, R. S. Kavalapure, S. Gharge, S. D. Ranade
Russian Journal of Bioorganic Chemistry, 2025
Design, synthesis and molecular dynamics simulations of thiazole-based hydrazones targeting MDA-MB-231 breast cancer cells
Shankar G. Alegaon, Shankar Gharge, Sunidhi Patil, Sachin Gudasi, Shriram D. Ranade, Niteen R. Sutar, Rohini S. Kavalapure, Pravin C. Mhaske, Deepa R. Mane, Shahana Shahpuri, Vijay M. Kumbar, Manjula I. Kambi
Bioorganic Chemistry, 2025
Synthesis, molecular docking, dynamics study and preliminary cytotoxicity study of some coumarin linked imidazothiadiazoles
Sujeet Kumar, Sravani PV, Gokulakrishnan S, Satyaprakash Khushwah, Basavaraj Metikurki, Dominique Schols, Hakan Alici, Hakan Tahtaci, Satvik Kotha, Swapna B, Shankar G. Alegaon, Subhas S. Karki
Journal of Molecular Structure, 2025
Thiazolidine Based Quinazoline Hybrids: Synthesis, Docking, DFT, Molecular Dynamic Study, and In Vitro Antidiabetic Evaluation
S. Gharge, S. G. Alegaon, S. D. Ranade, R. S. Kavalapure
Russian Journal of Bioorganic Chemistry, 2025
Indoles as promising Therapeutics: A review of recent drug discovery efforts
Naik Jui Pravin, Rohini S. Kavalapure, Shankar G. Alegaon, Shankar Gharge, Shriram D. Ranade
Bioorganic Chemistry, 2025
Novel quinoline–imidazole derivatives as inhibitors of Mycobacterium tuberculosis: an integrated approach combining molecular dynamics and in-vitro studies
Neha Khebude, Shankar G. Alegaon, Shriram D. Ranade, Dharmarajan Sriram, Rohini S. Kavalapure, Monica Singh, Shankar Gharge, Sunil S. Jalalpure
Molecular Simulation, 2025
2-substituted 3-oxindoles as glycogen synthase kinase 3β inhibitors: insights from ML based QSAR, molecular docking, and dynamics simulations
Samved Kulkarni, Shubham Deshpande, Mohit Shetty, Priyanka Sahare, Vidya Shinde, Ashwini Patil, Vinayak Walhekar, Shankar G. Alegaon, Shriram D. Ranade, Sateesh Bandaru, Ankit Ganeshpurkar, Ravindra Kulkarni
Proceedings of the Indian National Science Academy, 2025
Reversal of insulin resistance to combat type 2 diabetes mellitus by newer thiazolidinedione's in fructose induced insulin resistant rats
Shriram D. Ranade, Shankar G. Alegaon, Nayeem A. Khatib, Shankar Gharge, Rohini S. Kavalapure, B.R. Prashantha Kumar
European Journal of Medicinal Chemistry, 2024
Molecular hybridization, synthesis, in vitro α-glucosidase inhibition, in vivo antidiabetic activity and computational studies of isatin based compounds
Sunidhi Patil, Shankar G. Alegaon, Shankar Gharge, Shriram D. Ranade, Nayeem A. Khatib
Bioorganic Chemistry, 2024
Design, synthesis, characterization and antidiabetic evaluation of 3,5-substituted thiazolidinediones: Evidenced by network pharmacology, Molecular docking, dynamic simulation, in vitro and in vivo assessment
Shankar Gharge, Shankar G. Alegaon, Swaroop Jadhav, Shriram D. Ranade, Rohini S. Kavalapure
European Journal of Medicinal Chemistry Reports, 2024
Expression of PPAR-γ TF by newly synthesized thiazolidine-2,4-diones to manage glycemic control: Insights from in silico, in vitro and experimental pharmacology in wistar rats
Shankar Gharge, Shankar G. Alegaon, Shriram D. Ranade, Rohini S. Kavalapure, B.R. Prashantha Kumar, Pravin C. Mhaske
Bioorganic Chemistry, 2024
Novel rhodanine-thiazole hybrids as potential antidiabetic agents: a structure-based drug design approach
Shankar Gharge, Shankar G. Alegaon, Shriram D. Ranade, Rohini S. Kavalapure, B. R. Prashantha Kumar
Rsc Medicinal Chemistry, 2024
Design, synthesis, molecular dynamic simulation, DFT analysis, computational pharmacology and decoding the antidiabetic molecular mechanism of sulphonamide-thiazolidin-4-one hybrids
Shriram D. Ranade, Shankar G. Alegaon, Nayeem A. Khatib, Shankar Gharge, Rohini S. Kavalapure, B.R. Prashantha Kumar
Journal of Molecular Structure, 2024
Design, synthesis of new 2,4-thiazolidinediones: In-silico, in-vivo anti-diabetic and anti-inflammatory evaluation
Shankar Gharge, Shankar G. Alegaon, Shriram D. Ranade, N.A. Khatib, Rohini S. Kavalapure, B.R. Prashantha Kumar, Vinod D, Nandkishor B. Bavage
European Journal of Medicinal Chemistry Reports, 2024
Quinoline-based Schiff bases as possible antidiabetic agents: ligand-based pharmacophore modeling, 3D QSAR, docking, and molecular dynamics simulations study
Shriram D. Ranade, Shankar G. Alegaon, Nayeem A. Khatib, Shankar Gharge, Rohini S. Kavalapure
Rsc Medicinal Chemistry, 2024
Recent Studies of Nitrogen and Sulfur Containing Heterocyclic Analogues as Novel Antidiabetic Agents: A Review
S. Gharge, S. G. Alegaon
Chemistry and Biodiversity, 2024
Design, synthesis, molecular dynamics simulation, MM/GBSA studies and kinesin spindle protein inhibitory evaluation of some 4-aminoquinoline hybrids
Shriram D. Ranade, Shankar G. Alegaon, U. Venkatasubramanian, A. Soundarya Priya, Rohini S. Kavalapure, Jagdish Chand, Sunil S. Jalalpure, D. Vinod
Computational Biology and Chemistry, 2023
Inverse Molecular Docking and Evaluation of Antitubercular Activities of Some Quinoline Based Heterocyclic Compounds
Nishigandha P. Patil, Shankar G. Alegaon, Prajakta S. Parchure, Rohini S. Kavalapure
Chemistry Africa, 2023
Assessment of anti-oxidant activity and quantification of epigallocatechin in Acacia suma heartwood by HPTLC-DPPH fingerprinting method
Nikita Kanbarkar, S. Mishra, S. Nandanwadkar, S. Alegaon
Chemical Papers, 2022
Synthesis, molecular docking and ADME studies of thiazole-thiazolidinedione hybrids as antimicrobial agents
Shankar G. Alegaon, Venkatasubramanian U, K. R. Alagawadi, Dushyant Kumar, Rohini S. Kavalapure, Shriram D. Ranade, Soundarya Priya A, Sunil S. Jalalpure
Journal of Biomolecular Structure and Dynamics, 2022
Design, synthesis, and molecular docking study of some 2-((7-chloroquinolin-4-yl) amino) benzohydrazide Schiff bases as potential Eg5 inhibitory agents
Rohini S. Kavalapure, Shankar G. Alegaon, U. Venkatasubramanian, A. Soundarya Priya, Shriram D. Ranade, Pukar Khanal, Sanjay Mishra, Dhanashree Patil, Preeti S. Salve, Sunil S. Jalalpure
Bioorganic Chemistry, 2021
Synthesis of new 7-chloro-4-phenoxyquinoline analogues as potential antitubercular agents
Preeti S. Salve, Shankar G. Alegaon
Medicinal Chemistry Research, 2018
Synthesis and biological evaluation of 1,3,4-trisubstituted pyrazole analogues as anti-mycobacterial agents
Shankar G. Alegaon, Mita B. Hirpara, K. R. Alagawadi, S. S. Jalalpure, V. P. Rasal, Preeti S. Salve, V. M. Kumbar
Medicinal Chemistry Research, 2017
Three-component, one-pot synthesis of anthranilamide Schiff bases bearing 4-aminoquinoline moiety as Mycobacterium tuberculosis gyrase inhibitors
Preeti S. Salve, Shankar G. Alegaon, Dharmarajan Sriram
Bioorganic and Medicinal Chemistry Letters, 2017
Quinoline-azetidinone hybrids: Synthesis and in vitro antiproliferation activity against Hep G2 and Hep 3B human cell lines
S.G. Alegaon, P. Parchure, L.D. Araujo, P.S. Salve, K.R. Alagawadi, S.S. Jalalpure, V.M. Kumbar
Bioorganic and Medicinal Chemistry Letters, 2017
Synthesis of novel pyrazole-thiadiazole hybrid as potential potent and selective cyclooxygenase-2 (COX-2) inhibitors
S.G. Alegaon, M.B. Hirpara, K.R. Alagawadi, K.K. Hullatti, K. Kashniyal
Bioorganic and Medicinal Chemistry Letters, 2014
Synthesis, characterization, and biological evaluation of thiazolidine-2,4-dione derivatives
Shankar G. Alegaon, Kallanagouda R. Alagawadi, Sneha M. Pawar, D. Vinod, Udaysingh Rajput
Medicinal Chemistry Research, 2014
1,3,4-Trisubstituted pyrazole analogues as promising anti-inflammatory agents
S.G. Alegaon, K.R. Alagawadi, M.K. Garg, K. Dushyant, D. Vinod
Bioorganic Chemistry, 2014
Synthesis, pharmacophore modeling, and cytotoxic activity of 2-thioxothiazolidin-4-one derivatives
Shankar G. Alegaon, Kallanagouda R. Alagawadi, D. Vinod, Banappa Unger, N. A. Khatib
Medicinal Chemistry Research, 2014
Synthesis and antitubercular activity of novel 3,5-diaryl-4,5-dihydro-1H-pyrazole derivatives
S. Alegaon, K. Alagawadi, D. Dadwe
Drug Research, 2013
Synthesis and evaluation of antitubercular and anti fungal activity of some novel 6-(4-substituted aryl)-2-(3,5-dimethyl-1H-pyrazol-1-yl) imidazo[2,1-b] [1,3,4] thiadiazole derivatives
Asian Journal of Pharmaceutical and Clinical Research, 2013
New thiazolidine-2,4-diones as antimicrobial and cytotoxic agent
Shankar G. Alegaon, Kallanagouda R. Alagawadi
Medicinal Chemistry Research, 2012
New thiazolidinedione-5-acetic acid amide derivatives: Synthesis, characterization and investigation of antimicrobial and cytotoxic properties
Shankar G. Alegaon, Kallanagouda R. Alagawadi
Medicinal Chemistry Research, 2012
Novel imidazo[2,1-b][1,3,4]thiadiazole carrying rhodanine-3-acetic acid as potential antitubercular agents
Shankar G. Alegaon, Kallanagouda R. Alagawadi, Pranali V. Sonkusare, Sagar M. Chaudhary, Dilip H. Dadwe, Amol S. Shah
Bioorganic and Medicinal Chemistry Letters, 2012
Synthesis, characterization and antimicrobial activity evaluation of new 2,4-Thiazolidinediones bearing imidazo[2,1-b][1,3,4]thiadiazole moiety
Kallanagouda R. Alagawadi, Shankar G. Alegaon
Arabian Journal of Chemistry, 2011
Microwave-assisted synthesis, antimicrobial and cytotoxic activities of some 4-thioxo-thiazolidine-2-one derivatives
Shankar G. Alegaon, Kallanagouda R. Alagawadi
Letters in Drug Design and Discovery, 2011

RECENT SCHOLAR PUBLICATIONS

Multifunctional quinoline-based hydrazones as promising antidiabetic agents: experimental and computational insights
A Kalakwade, RS Kavalapure, S Gharge, S Gudasi, SD Ranade, ...
Bioorganic & Medicinal Chemistry Letters, 130684 , 2026
2026
New pyrimidine compounds as potent anti-breast cancer agents: synthesis, biological evaluation and computational studies
NR Sutar, SG Alegaon, S Gharge, SD Ranade, PA Kamble
Bioorganic Chemistry, 109939 , 2026
2026
Molecular structure, reactivity, and anti-breast cancer potential of quinazoline–pyrimidine hybrids against MDA-MB-231 cells: a combined experimental and computational study
K Donkari, SG Alegaon, NR Sutar, S Gudasi, SP Ganpule, RS Kavalapure
Journal of Molecular Structure, 146453 , 2026
2026
Synthesis and evaluation of quinoline–quinazoline hybrids as potential EGFR inhibitors
RS Kavalapure, SG Alegaon, S Gharge, SD Ranade, BRP Kumar, ...
Results in Chemistry, 103157 , 2026
2026
Citations: 1
Heterocyclic compounds with diverse biological activities: A review of quinazoline and quinazolinone derivatives
A Kalakwade, RS Kavalapure, S Gharge, SG Alegaon, SD Ranade, ...
Results in Chemistry, 102932 , 2026
2026
Citations: 5
Computational and experimental repositioning of quinoline analogues as KSP inhibitors: insights from free energy landscape and PCA analysis
SG Alegaon, SD Ranade, S Gharge, RS Kavalapure, V Ulaganathan
Journal of Computer-Aided Molecular Design 39 (1), 65 , 2025
2025
Citations: 7
Sulfonamides: A versatile scaffold for diverse biological activity
SJ Kokre, RS Kavalapure, SS Huddi, S Gharge, SG Alegaon, SD Ranade, ...
Results in Chemistry, 102858 , 2025
2025
Citations: 7
2-substituted 3-oxindoles as glycogen synthase kinase 3 β inhibitors: insights from ML based QSAR, molecular docking, and dynamics simulations
S Kulkarni, S Deshpande, M Shetty, P Sahare, V Shinde, A Patil, ...
Proceedings of the Indian National Science Academy, 1-21 , 2025
2025
Citations: 1
Modulating glucose homeostasis via expression of PPAR-γ TF: Pharmacological insights into quinolone-based hydrazones
NJ Pravin, RS Kavalapure, S Gharge, SG Alegaon, SD Ranade, R Koli, ...
European Journal of Medicinal Chemistry, 118168 , 2025
2025
Citations: 5
Design and Cytotoxic Assessment of Novel Quinazoline Schiff Bases against A549 Cells: Unlocking Anticancer Potential
V Kuthe, SG Alegaon, RS Kavalapure, S Gharge, SD Ranade
Russian Journal of Organic Chemistry 61 (9), 1734-1750 , 2025
2025
Repositioning of rhodanine-thiazole hybrids as aldose reductase inhibitors
S Gharge, SG Alegaon, SD Ranade, RS Kavalapure
Medicine in Drug Discovery 27, 100215 , 2025
2025
Citations: 5
Structure-guided development of Quinoline derivatives targeting kinesin spindle protein
RS Kavalapure, SG Alegaon, S Gharge, SD Ranade, S Gudasi, ...
Bioorganic & Medicinal Chemistry Letters 125, 130278 , 2025
2025
Citations: 14
Cytotoxic Potential of Newly Synthesized 4-Aminoquinoline Hybrids on MDA-MB-231 Cells: Insights from Pharmacophore Modeling and Molecular Dynamics Simulation
AA Mattikopp, SG Alegaon, S Gharge, SD Ranade, RS Kavalapure
Russian Journal of Bioorganic Chemistry 51 (4), 1624-1644 , 2025
2025
Citations: 2
Synthesis and In vitro Biological Evaluation of Quinolone-Based Hydrazones as Potential Antidiabetic Agents Targeting Key Metabolic Enzymes
NJ Pravin, RS Kavalapure, S Gharge, SG Alegaon, SD Ranade, LS Wong, ...
ACS omega 10 (30), 33712-33730 , 2025
2025
Citations: 3
Cytotoxic Potential of Newly Synthesized Quinoline–Bearing Dihydropyridine Hybrids on A549 Lung Cancer Cells
V Kuthe, SG Alegaon, RS Kavalapure, S Gharge, SD Ranade
Russian Journal of Bioorganic Chemistry 51 (3), 1365-1384 , 2025
2025
Citations: 1
Design, synthesis and molecular dynamics simulations of thiazole-based hydrazones targeting MDA-MB-231 breast cancer cells
SG Alegaon, S Gharge, S Patil, S Gudasi, SD Ranade, NR Sutar, ...
Bioorganic Chemistry 157, 108306 , 2025
2025
Citations: 18
Novel quinoline–imidazole derivatives as inhibitors of Mycobacterium tuberculosis : an integrated approach combining molecular dynamics and in-vitro studies
N Khebude, SG Alegaon, SD Ranade, D Sriram, RS Kavalapure, M Singh, ...
Molecular Simulation 51 (5), 328-346 , 2025
2025
Citations: 9
Targeting cardiotoxicity: the potential of Annona squamosa L. in doxorubicin therapy
KA Lele, PP Patil, SV Kakade, NR Maledavar, SD Ranade, SG Alegaon, ...
In Silico Pharmacology 13 (1), 47 , 2025
2025
Citations: 2
Synthesis, molecular docking, dynamics study and preliminary cytotoxicity study of some coumarin linked imidazothiadiazoles
S Kumar, PV Sravani, S Gokulakrishnan, S Khushwah, B Metikurki, ...
Journal of Molecular Structure 1321, 139943 , 2025
2025
Citations: 2
Thiazolidine Based Quinazoline Hybrids: Synthesis, Docking, DFT, Molecular Dynamic Study, and In Vitro Antidiabetic Evaluation
S Gharge, SG Alegaon, SD Ranade, RS Kavalapure
Russian Journal of Bioorganic Chemistry 51 (1), 177-201 , 2025
2025
Citations: 7

MOST CITED SCHOLAR PUBLICATIONS

Novel imidazo [2, 1-b][1, 3, 4] thiadiazole carrying rhodanine-3-acetic acid as potential antitubercular agents
SG Alegaon, KR Alagawadi, PV Sonkusare, SM Chaudhary, DH Dadwe, ...
Bioorganic & medicinal chemistry letters 22 (5), 1917-1921 , 2012
2012
Citations: 204
1, 3, 4-Trisubstituted pyrazole analogues as promising anti-inflammatory agents
SG Alegaon, KR Alagawadi, MK Garg, K Dushyant, D Vinod
Bioorganic chemistry 54, 51-59 , 2014
2014
Citations: 116
Synthesis, characterization and antimicrobial activity evaluation of new 2, 4-Thiazolidinediones bearing imidazo [2, 1-b][1, 3, 4] thiadiazole moiety
KR Alagawadi, SG Alegaon
Arabian Journal of Chemistry 4 (4), 465-472 , 2011
2011
Citations: 114
Recent studies of nitrogen and sulfur containing heterocyclic analogues as novel antidiabetic agents: a review
S Gharge, SG Alegaon
Chemistry & Biodiversity 21 (2), e202301738 , 2024
2024
Citations: 60
New thiazolidinedione-5-acetic acid amide derivatives: synthesis, characterization and investigation of antimicrobial and cytotoxic properties
SG Alegaon, KR Alagawadi
Medicinal Chemistry Research 21 (6), 816-824 , 2012
2012
Citations: 58
Indoles as promising Therapeutics: A review of recent drug discovery efforts
NJ Pravin, RS Kavalapure, SG Alegaon, S Gharge, SD Ranade
Bioorganic Chemistry 154, 108092 , 2025
2025
Citations: 56
Synthesis of novel pyrazole–thiadiazole hybrid as potential potent and selective cyclooxygenase-2 (COX-2) inhibitors
SG Alegaon, MB Hirpara, KR Alagawadi, KK Hullatti, K Kashniyal
Bioorganic & Medicinal Chemistry Letters 24 (22), 5324-5329 , 2014
2014
Citations: 54
Synthesis, characterization and antimicrobial activity evaluation of new imidazo [2, 1-b][1, 3, 4] thiadiazole derivatives
SG Alegaon, KR Alagawadi
European Journal of Chemistry 2 (1), 94-99 , 2011
2011
Citations: 46
Design, synthesis of new 2, 4-thiazolidinediones: in-silico, in-vivo anti-diabetic and anti-inflammatory evaluation
S Gharge, SG Alegaon, SD Ranade, NA Khatib, RS Kavalapure, ...
European Journal of Medicinal Chemistry Reports 11, 100151 , 2024
2024
Citations: 44
Three-component, one-pot synthesis of anthranilamide Schiff bases bearing 4-aminoquinoline moiety as Mycobacterium tuberculosis gyrase inhibitors
PS Salve, SG Alegaon, D Sriram
Bioorganic & medicinal chemistry letters 27 (8), 1859-1866 , 2017
2017
Citations: 37
New thiazolidine-2, 4-diones as antimicrobial and cytotoxic agent
SG Alegaon, KR Alagawadi
Medicinal Chemistry Research 21 (10), 3214-3223 , 2012
2012
Citations: 34
Molecular hybridization, synthesis, in vitro α-glucosidase inhibition, in vivo antidiabetic activity and computational studies of isatin based compounds
S Patil, SG Alegaon, S Gharge, SD Ranade, NA Khatib
Bioorganic Chemistry 153, 107783 , 2024
2024
Citations: 32
Design, synthesis, characterization and Antidiabetic evaluation of 3, 5-substituted thiazolidinediones: Evidenced by network pharmacology, Molecular docking, dynamic simulation …
S Gharge, SG Alegaon, S Jadhav, SD Ranade, RS Kavalapure
European Journal of Medicinal Chemistry Reports 12, 100213 , 2024
2024
Citations: 31
Design, synthesis, molecular dynamic simulation, DFT analysis, computational pharmacology and decoding the antidiabetic molecular mechanism of sulphonamide-thiazolidin-4-one …
SD Ranade, SG Alegaon, NA Khatib, S Gharge, RS Kavalapure, ...
Journal of Molecular Structure 1311, 138359 , 2024
2024
Citations: 28
Quinoline-based Schiff bases as possible antidiabetic agents: ligand-based pharmacophore modeling, 3D QSAR, docking, and molecular dynamics simulations study
SD Ranade, SG Alegaon, NA Khatib, S Gharge, RS Kavalapure
RSC medicinal chemistry 15 (9), 3162-3179 , 2024
2024
Citations: 28
Reversal of insulin resistance to combat type 2 Diabetes mellitus by newer thiazolidinedione's in fructose induced insulin resistant rats
SD Ranade, SG Alegaon, NA Khatib, S Gharge, RS Kavalapure, ...
European Journal of Medicinal Chemistry 280, 116939 , 2024
2024
Citations: 27
Quinoline-azetidinone hybrids: Synthesis and in vitro antiproliferation activity against Hep G2 and Hep 3B human cell lines
SG Alegaon, P Parchure, LD Araujo, PS Salve, KR Alagawadi, ...
Bioorganic & Medicinal Chemistry Letters 27 (7), 1566-1571 , 2017
2017
Citations: 27
Design, synthesis, and molecular docking study of some 2-((7-chloroquinolin-4-yl) amino) benzohydrazide Schiff bases as potential Eg5 inhibitory agents
RS Kavalapure, SG Alegaon, U Venkatasubramanian, AS Priya, ...
Bioorganic Chemistry 116, 105381 , 2021
2021
Citations: 26
Design, synthesis, molecular dynamics simulation, MM/GBSA studies and kinesin spindle protein inhibitory evaluation of some 4-aminoquinoline hybrids
SD Ranade, SG Alegaon, U Venkatasubramanian, AS Priya, ...
Computational Biology and Chemistry 105, 107881 , 2023
2023
Citations: 24
Synthesis, molecular docking and ADME studies of thiazole-thiazolidinedione hybrids as antimicrobial agents
SG Alegaon, V U, KR Alagawadi, D Kumar, RS Kavalapure, SD Ranade, ...
Journal of Biomolecular Structure and Dynamics 40 (14), 6211-6227 , 2022
2022
Citations: 24

Shankar G Alegaon

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MOST CITED SCHOLAR PUBLICATIONS