Publications

Natural Products:​

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• Raghuvanshi R, Nuthakki VK, Singh L, Singh B, Bharate SS, Bhatti R, Bharate SB* Identification of Plant-based Multitargeted Leads for Alzheimer's Disease: In-vitro and In-vivo Validation of Woodfordia fruticosa (L.) Kurz. Phytomedicine, 2021, 91, 153659

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• Kumar V; Bharate SS; Bhurta D; Gupta M; Gandhi SG; Singh D; Jaglan S; Kumar A; Vishwakarma RA; Bharate SB* Evaluation of rohitukine-enriched fraction of Dysoxylum binectariferum Hook.f. (leaves) as Anti-arthritic Phytopharmaceutical Candidate: Chemical Standardization, In-vivo validation, Formulation Development and Oral Pharmacokinetics. J. Ethnopharmacol., 2020, 254, 112758

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• Ntemafack A; Nuthakki V; Abdullaha M; Qazi H; Gandhi SG; Bharate SB*. Discovery of Helminthosporin, an Anthraquinone Isolated from Rumex abyssinicus Jacq as a Dual Cholinesterase Inhibitor. ACS Omega, 2020, 5 (3), 1616-1624

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• Nuthakki VK; Sharma A; Kumar A; Bharate SB* Identification of embelin, a 3-undecyl-1,4-benzoquinone from Embelia ribes as a multitargeted anti-Alzheimer agent. Drug Dev. Res., 2019, 80, 655-665

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• Bharate SB*; Kumar V; Bharate SS; Singh B; Singh GD; Singh A; Gupta M; Singh D; Kumar A; Singh S; Vishwakarma RA. Discovery and preclinical development of IIIM-160, Bergenia ciliata based anti-inflammatory and anti-arthritic botanical drug candidate. J. Integr. Med., 2019, 17, 192–204

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• Bharate SS; Kumar V; Singh GD; Singh A; Gupta M; Singh D; Kumar A; Vishwakarma RA; Bharate SB* Preclinical development of Crocus sativus based botanical lead IIIM-141 for Alzheimer's disease: Chemical standardization, efficacy, formulation development, pharmacokinetics and safety pharmacology. ACS Omega, 2018, 3, 9572−9585

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• Joshi P; Sonawane V; Williams IS; McCann GJP; Gatchie L; Sharma R; Satti N; Chaudhuri B; Bharate SB* Identification of karanjin isolated from Indian beech tree as potent CYP1 enzyme inhibitor with cellular efficacy via screening of a natural products repository. Med. Chem. Comm., 2018, 9, 371-382

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• Kumar V; Gupta M; Gandhi SG; Bharate SS; Kumar A; Vishwakarma RA; Bharate SB* Anti-inflammatory chromone alkaloids and glycoside from Dysoxylum binectariferum. Tetrahedron Lett. 2017, 58, 3974-3978

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• Batarseh YS; Bharate SS; Kumar V; Kumar A; Vishwakarma RA; Bharate SB; Kaddoumi A* Crocus sativus Extract Tightens the Blood-Brain Barrier, Reduces Amyloid β Load and Related Toxicity in 5XFAD Mice. ACS Chem. Neurosci., 2017, 8, 1756-1766

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• Kumar V; Guru SK; Jain SK; Joshi P; Gandhi SG; Bharate SB; Bhushan S; Bharate SS; Vishwakarma RA. A chromatography-free isolation of rohitukine from leaves of Dysoxylum binectariferum: Evaluation for in vitro cytotoxicity, Cdk inhibition and physicochemical properties. Bioorg. Med. Chem. Lett., 2016, 26, 3457-3463

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• Joshi P.; Singh  S.; Wani,  A.; Sharma S.;  Jain S.K.;  Singh  B.; Gupta B.; Satti  N.; Koul S.;  Khan I.A.; Kumar A.;   Bharate S.B.*; Vishwakarma RA. Osthol and curcumin as inhibitors of human Pgp and multidrug efflux pumps of Staphylococcus aureus: Reversing the resistance against frontline antibacterial drugs. Med. Chem. Commun., 2014, 5, 1540–1547

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• Jain SK; Meena S; Gupta AP; Kushwaha M; Uma Shaanker R; Jaglan S; Bharate SB;* Vishwakarma RA. Dysoxylum binectariferum bark as a new source of anticancer drug camptothecin: Bioactivity-guided isolation and LCMS-based quantification. Bioorg. Med. Chem. Lett., 2014, 24, 3146-3149

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• Jain SK; Meena S; Qazi AK; Hussain A; Bhola SK; Kshirsagar R; Pari K; Khajuria A; Hamid A; Uma Shaanker R; Bharate SB;* Vishwakarma RA. Isolation and biological evaluation of chromone alkaloid dysoline, a new regioisomer of rohitukine from Dysoxylum binectariferum. Tetrahedron Lett., 2013, 54, 7140–7143

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• Bharate SB; Sawant SD; Singh PP; Vishwakarma RA. Kinase inhibitors of marine origin. Chem. Rev., 2013, 113, 6761-6815.

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Medicinal Chemistry/ in-silico driven drug discovery:

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• Abdullaha M, Ali M, Kour D, Mudududdla R, Khajuria P, Kumar A, Bharate SB.* Tetramethoxystilbene Inhibits NLRP3 Inflammasome Assembly via Blocking the Oligomerization of Apoptosis-associated Speck-like Protein Containing Caspase Recruitment Domain: In-Vitro and In-Vivo Evaluation.  ACS Pharmacol. Trans. Sci. 2021, 4, 1437-1448

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• Nuthakki VK; Yadav RR; Bharate SB.* Identification of Aplysinopsin as a Blood-brain Barrier Permeable Scaffold for Anti-cholinesterase and Anti-BACE-1 activity. Bioorg. Chem. 2021, 107, 104568

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• Abdullaha M; Nuthakki VK; Bharate SB.*  Discovery of methoxy-naphthyl linked N-(1-benzylpiperidine) benzamide as a blood-brain permeable dual inhibitor of acetylcholinesterase and butyrylcholinesterase. Eur. J. Med. Chem., 2020, 207, 112761

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• Abdullaha M; Ali M; Kour D; Kumar A; Bharate SB.* Discovery of Benzo[cd]indol-2-one and Benzylidene-thiazolidine-2,4-dione as New Classes of NLRP3 Inflammasome Inhibitors via ER-β Structure Based Virtual Screening. Bioorg. Chem, 2020, 95, 103500

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• Nuthakki VK; Mudududdla R; Sharma A; Kumar A; Bharate SB.* Synthesis and biological evaluation of indoloquinoline alkaloid cryptolepine and its bromo-derivative as dual cholinesterase inhibitors. Bioorg. Chem., 2019, 90, 103062

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• Abdullaha M; Mohammed S; Ali M; Kumar A; Vishwakarma RA; Bharate SB* Discovery of quinazolin-4(3H)-ones as NLRP3 inflammasome inhibitors: computational design, metal-free synthesis and in-vitro biological evaluation. J. Org. Chem., 2019, 84, 5129-5140

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• Mudududdla R.; Mohanakrishnan D; Bharate SS; Vishwakarma RA; Sahal D; Bharate SB* Orally effective aminoalkyl 10h-indolo-[3,2-b]quinoline-11-carboxamide kills the malaria parasite by inhibiting host hemoglobin uptake. ChemMedChem, 2018,13, 2581-2598

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• Bharate SB;* Kumar V; Jain SK; Mintoo NJ; Guru SK; Nuthakki VK; Sharma M; Bharate SS; Gandhi SG; Mondhe DM; Bhushan S; Vishwakarma RA. Discovery and Preclinical Development of IIIM-290, an Orally Active Potent Cyclin-dependent Kinase Inhibitor. J. Med. Chem. 2018, 61, 1664-1687

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• Joshi P; Gupta M; Vishwakarma RA; Kumar A; Bharate SB*  (Z)-2-(3-Chlorobenzylidene)-3,4-dihydro-N-(2-methoxyethyl)-3-oxo-2H-benzo[b][1,4]oxazine-6-carboxamide as GSK-3beta inhibitor: Identification by virtual screening, and its validation in enzyme and cell-based assay. Chem. Biol. Drug. Des., 2017, 89, 964−971

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• Bharate SB;* Singh B; Kachler S; Oliveira A; Kumar V; Bharate SS; Vishwakarma RA; Klotz KN; Gutiérrez de Terán H. Discovery of 7-(prolinol-N-yl)-2-phenylamino-thiazolo[5,4-d]pyrimidines as novel non-nucleoside partial agonists for the A2A adenosine receptor: Prediction from molecular modeling. J. Med. Chem., 2016, 59, 5922-5928

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• Yadav RR; Guru SK; Joshi P; Mahajan G; Mintoo MJ; Kumar V; Bharate SS; Mondhe DM; Vishwakarma RA; Bhushan S; Bharate SB*6-Aryl substituted 4-(4-cyanomethyl) phenylamino quinazolines as a new class of isoform-selective PI3K-alpha inhibitors. Eur. J. Med. Chem., 2016, 122, 731-743

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• Padala AK; Wani A; Vishwakarma RA; Kumar A; Bharate SB* Functional induction of P-glycoprotein efflux pump by phenyl benzene sulfonamides: Synthesis and biological evaluation of T0901317 analogs. Eur. J. Med. Chem., 2016, 122, 744-755

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• Manda S; Wani A; Bharate SS; Vishwakarma RA; Kumar A; Bharate SB* Design, synthesis and P-gp induction activity of aryl phosphonate esters: Identification of tetraethyl-2-phenylethene-1,1-diyldiphosphonate as an orally bioavailable P-gp inducer. Med Chem Comm., 2016, 7, 1910-1915

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• Manda S; Sharma S; Wani A; Joshi P; Kumar V; Guru SK; Bharate SS; Bhushan S; Vishwakarma RA; Kumar A; Bharate SB* Discovery of a marine-derived bis-indole alkaloid fascaplysin, as a new class of potent P-glycoprotein inducer and establishment of its structure-activity relationship. Eur. J. Med. Chem., 2016, 107, 1–11

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• Yadav RR; Sharma S; Joshi P; Wani A; Vishwakarma RA; Kumar A; Bharate SB* Meridianin derivatives as potent Dyrk1A inhibitors and neuroprotective agents. Bioorg. Med. Chem. Lett. 2015, 25, 2948-2952

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• Yadav RR; Khan SI; Singh S; Khan IA; Vishwakarma RA; Bharate SB* Synthesis, antimalarial and antitubercular activities of meridianin derivatives. Eur. J. Med. Chem. 2015, 98, 160-169

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• Singh B; Kumar A; Joshi P; Guru SK; Kumar S; Wani ZA; Mahajan G; Hussain A; Qazi A; Kumar A; Bharate SS; Gupta BD; Sharma PR; Dar AH; Saxena AK; Mondhe DM; Bhushan S; Bharate SB;* Vishwakarma RA. Colchicine derivatives with potent anticancer activity and reduced P-glycoprotein induction liability. Org. Biomol. Chem., 2015, 13, 5674-5689

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• Bharate JB; Batarseh YS; Wani A; Sharma S; Vishwakarma RA; Kaddoumi A; Kumar A; Bharate SB.* Synthesis and P-glycoprotein induction activity of colupulone analogs. Org. Biomol. Chem., 2015, 13, 5488-5496

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• Bharate JB; Singh S; Wani A; Sharma S; Joshi P; Khan IA; Kumar A; Vishwakarma RA; Bharate SB* Discovery of 4-acetyl-3-(4-fluorophenyl)-1-(p-tolyl)-5-methylpyrrole as a dual inhibitor of human P-glycoprotein and Staphylococcus aureus Nor A efflux pump. Org. Biomol. Chem., 2015, 13, 5424-5431

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• Mudududdla R; Guru SK; Wani A; Sharma S; Joshi P; Vishwakarma RA; Kumar A; Bhushan S; Bharate SB* 3-(Benzo[d][1,3]dioxol-5-ylamino)-N-(4-fluorophenyl)thiophene-2-carboxamide overcomes cancer chemoresistance via inhibition of angiogenesis and P-glycoprotein efflux pump activity. Org. Biomol. Chem., 2015, 13, 4296-4309

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• Jain SK; Singh S; Khajuria A; Guru SK; Joshi P; Meena S; Nadkarni J; Singh A; Bharate SS; Bhushan S; Bharate SB*; Vishwakarma RA.  Pyrano-isochromanones as IL-6 inhibitors: Synthesis, in-vitro and in-vivo anti-arthritic activity. J. Med. Chem., 2014, 57, 7085−7097

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• Bharate JB; Wani A; Sharma S; Reja SI; Kumar M; Vishwakarma RA; Kumar A; Bharate SB.* Synthesis, antioxidant, neuroprotective and P-glycoprotein induction activity of 4-arylquinoline-2-carboxylates. Org. Biomol. Chem., 2014, 12, 6267-6277

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• Jain SK; Pathania AS; Meena S; Sharma R; Sharma A; Singh B; Gupta BD; Bhushan S; Bharate SB;* Vishwakarma RA. Semisynthesis of Mallotus B from Rottlerin: Evaluation of Cytotoxicity and Apoptosis-inducing Activity. J. Nat. Prod., 2013, 76, 1724−1730

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• Bharate SB;* Manda S; Joshi P; Singh B; Vishwakarma RA. Total synthesis and anti-cholinesterase activity of marine-derived bis-indole alkaloid fascaplysin. Med. Chem. Commun., 2012, 3, 1098-1103

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Synthetic methodology:

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• Sharma R; Abdullaha M; Bharate SB* Oxidant-Controlled C-sp2/sp3 – H Cross-dehydrogenative Coupling of N-Heterocycles with Benzylamines. J. Org. Chem. 2017, 82, 9786–9793

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• Sharma R; Abdullaha M; Bharate SB* Metal-free ionic liquid mediated synthesis of benzimidazoles and quinazolin-4(3H)-ones from benzylamines. Asian J. Org. Chem., 2017, 6, 1370–1374

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• Sharma R; Vishwakarma RA; Bharate SB* Bimetallic Cu-Mn catalyzed synthesis of 2-arylquinazolin-4(3H)-ones: Aqueous ammonia as a source of ring nitrogen. Eur. J. Org. Chem. 2016 (31), 5227–5233

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• Sharma R; Vishwakarma RA, Bharate SB* Ligand-free Cu-Mn spinel oxide catalyzed tandem one-pot C-H amidation and N-arylation of benzyl amines: A facile access to 2-arylquinazolin-4(3H)-ones. Adv. Synth. Catal., 2016, 358, 3027-3033

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• Sharma R; Patel N; Vishwakarma RA; Bharatam PV; Bharate SB. Metal-free oxidative cyclization of acetophenones with diamines: A facile access to phenylpyridines. Chem. Commun., 2016, 52, 1009-1012

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• Sharma R; Vishwakarma RA; Bharate SB* An efficient transformation of furano-hydroxychalcones to furanoflavones via base mediated intramolecular tandem O-arylation and C-O bond cleavage: A new approach for synthesis of furanoflavones. Org. Biomol. Chem., 2015, 13, 10461-10465

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• Mohammed S; Vishwakarma RA; Bharate SB* Iodine catalyzed oxidative synthesis of quinazolin-4(3H)-ones and pyrazolo[4,3-d]pyrimidin-7(6H)-ones via amination of sp3 C-H bond. J. Org. Chem., 2015, 80, 6915-6921

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• Bharate JB; Abbat S; Bharatam PV; Vishwakarma RA; Bharate SB* CuBr catalyzed aerobic oxidative coupling of 2-aminopyridines with cinnamaldehydes: Direct access to 3-formyl-2-phenyl-imidazo[1,2-a]pyridines. Org. Biomol. Chem., 2015, 13, 7790-7794

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• Sharma R; Abbat S; Mudududdla R; Vishwakarma RA; Bharatam PV; Bharate SB.* Ortho-quinone methides: TFA-mediated generation in water and trapping with lactams and styrenes. Tetrahedron Lett., 2015, 56, 4057-4059

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• Bharate JB; Abbat S; Sharma R; Bharatam PV; Vishwakarma RA; Bharate SB* Cobalt (II) catalyzed C(sp)-H bond functionalization of alkynes with phenylhydrazines: A facile access to diaryl 1,2-diketones. Org. Biomol. Chem., 2015, 13, 5235-5242

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• Mudududdla R; Sharma R;  Abbat   S; Bharatam PV;  Vishwakarma RA; Bharate SB* Synthesis of 2-phenylnaphthalenes from styryl-2-methoxybenzenes. Chem. Commun., 2014, 50, 12076-12079

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• Mudududdla R; Jain SK; Bharate JB; Gupta AP; Singh B; Vishwakarma RA; Bharate SB*  Ortho-Amidoalkylation of phenols via tandem one-pot approach involving oxazine intermediate. J. Org. Chem., 2012, 77, 8821-8827

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• Yadav RR; Vishwakarma RA; Bharate SB.* Catalyst-free ipso-nitration of aryl boronic acids using bismuth nitrate. Tetrahedron Lett., 2012, 53 (44), 5958-5960

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• Bharate SB;* Mudududdla R; Bharate JB; Battini N; Battula S; Yadav RR; Singh B; Vishwakarma RA.. Tandem one-pot synthesis of flavans by recyclable silica-HClO4 catalyzed Knoevenagel condensation and [4+2]-Diels-Alder cycloaddition. Org. Biomol. Chem., 2012, 10, 5143–5150

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