31 results on '"Mali, Suraj N."'
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2. One-Pot multicomponent synthesis of novel pyrazole-linked thiazolyl-pyrazolines: Molecular docking and cytotoxicity assessment on breast and lung cancer cell-lines
3. Cheminformatics-driven prediction of BACE-1 inhibitors: Affinity and molecular mechanism exploration
4. Cheminformatics approaches to predict the bioactivity and to discover the pharmacophoric traits crucial to block NF-κB
5. Synthesis, structure, DFT study and molecular docking inspection of spirobi[hexahydropyrimidine]-diones derivative
6. Synthesis, antioxidant, antimicrobial activities and molecular modeling analysis of some 5-Nitro-N-phenyl-3-(phenylamino)-1H-indazole-1-carboxamide derivatives: Docking, SAR, toxicity and molecular dynamics analysis
7. Studies on chlorophenyl, thiophenyl, and biphenyl clubbed tetrahydro bipyrazole carbaldehydes: Synthesis, antimicrobial and antioxidant activity, SAR study, in-silico pharmacokinetics, toxicity, and molecular modeling
8. Development of curcumin integrated smart pH indicator, antibacterial, and antioxidant waste derived Artocarpus lakoocha starch-based packaging film
9. Synthesis, biological evaluation, and molecular modelling of substituted thiazolyl thiourea derivatives: A new class of prolyl oligopeptidase inhibitors
10. From lab to nature: Recent advancements in the journey of gastroprotective agents from medicinal chemistry to phytotherapy
11. QSAR modelling to predict structural features of certain sulfonamide as Urokinase-type Plasminogen Activator inhibitors
12. Molecular docking, QSAR, and ADME studies of some pyrrolo[1, 2-a] benzimidazole-based quinones as novel topoisomerase 2 beta (TOP2β) inhibitors
13. Synthesis, molecular docking and pharmacological evaluations of novel naphthalene-pyrazoline hybrids as new orally active anti-inflammatory agents
14. New 2-Chloroimidazo[1,2-a]pyridine induced Schiff bases: Synthesis, characterization, antimicrobial and A-498 and A-549 anticancer activity, molecular modeling, in-silico pharmacokinetics, and DFT studies
15. Synthesis, crystal structure investigation, and theoretical approaches to discover potential 6-bromo-3-cyanocoumarin as a potent inhibitor MetAP (methionine aminopeptidase) 2
16. Structure-based drug design for protein arginine deiminase Type IV (PAD4) receptor: Chemoinformatics approach
17. Development of Orally Active Anti-Inflammatory Agents: In Vivo and In Silico Analysis of Naphthalene-Chalcone Derivatives Based on 2-Acetyl-6-Methoxy Naphthalene
18. A decade review of analysis of essential oils from genus Artocarpus: Its phytochemistry and pharmacology
19. Imidazo[1,2-a]pyridine-appended chalcone and Schiff base conjugates: synthetic, spectrophotometric, biological, and computational aspects
20. Synthesis, biological evaluation and molecular modelling of 3-Formyl-6-isopropylchromone derived thiosemicarbazones as α-glucosidase inhibitors
21. The anti-SARS-CoV-2 activity of novel 9, 10-dihydrophenanthrene derivatives: an insight into molecular docking, ADMET analysis, and molecular dynamics simulation
22. Repositioning Cannabinoids and Terpenes as Novel EGFR-TKIs Candidates for Targeted Therapy Against Cancer: A virtual screening model using CADD and biophysical simulations
23. Improved adsorptive purification and effective separation of acidic and lactonic sophorolipid biosurfactant
24. Emerging applications of nanotechnology in cosmeceutical health science: Latest updates
25. Guerbet alcohol esters: Practical synthesis and applications
26. Neem oil as natural pesticide: Pseudo ternary diagram and computational study
27. Multiple QSAR and molecular modelling for identification of potent human adenovirus inhibitors
28. Waste derived-green and sustainable production of Sophorolipid
29. Synthesis, bioactivities, DFT and in-silico appraisal of azo clubbed benzothiazole derivatives
30. Molecular modelling studies for 4-oxo-1,4-dihydroquinoline-3-carboxamide derivatives as anticancer agents
31. Design, synthesis, antimicrobial activity and computational studies of novel azo linked substituted benzimidazole, benzoxazole and benzothiazole derivatives
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