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Peptide inhibitors against SARS-CoV-2 2′-O-methyltransferase involved in RNA capping: A computational approach

Biochemistry and biophysics reports, 2021-09, Vol.27, p.101069-101069, Article 101069

2021

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Asymmetric Synthesis of Bridged N -Heterocycles with Tertiary Carbon Center through Barbas Dienamine-Catalysis: Scope and Applications

Journal of organic chemistry, 2021-12, Vol.86 (23), p.17213-17225

2021

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Electrochemical Oxidative Addition of Nucleophiles on 2‑Arylindoles: Synthesis of C2-Heteroquaternary Indolin-3-ones

Journal of organic chemistry, 2022-12, Vol.87 (23), p.15771-15782

2022

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Catalyst-free direct regiospecific multicomponent synthesis of C3-functionalized pyrroles

Organic & biomolecular chemistry, 2022-07, Vol.2 (29), p.5747-5758

2022

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Electrochemical Synthesis of 2‑Aryl-3-(2-aminoaryl)quinoxalines via Oxidative Dearomatization/Ring-Opening/Cyclization Cascade Sequence of 2‑Arylindoles with 1,2-Diaminoarenes

Journal of organic chemistry, 2023-08, Vol.88 (15), p.11111-11121

2023

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Sunlight assisted photocatalytic degradation using the RSM-CCD optimized sustainable photocatalyst synthesized from galvanic wastewater

Journal of molecular structure, 2022-09, Vol.1263, p.133194, Article 133194

2022

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Organo‐Catalyzed Enantioselective [4+2] Annulation of Glutaraldehyde and C3‐Indolyl‐imines To Access Indol‐3‐yl‐piperidines

European journal of organic chemistry, 2023-12, Vol.26 (45), p.n/a

2023

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PIFA-promoted intramolecular oxidative cyclization of pyrrolo- and indolo[1,2-]quinoxalino-appended porphyrins: an efficient synthesis of ,β-pyrrolo- and indolo[1,2-]quinoxalino-fused porphyrins

Organic & biomolecular chemistry, 2022-09, Vol.2 (35), p.74-746

2022

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Direct Amine-Catalyzed Enantioselective Synthesis of Pentacyclic Dibenzo[b,f][1,4]oxazepine/Thiazepine-Fused Isoquinuclidines along with DFT Calculations

Journal of organic chemistry, 2020-11, Vol.85 (21), p.14094-14108

2020

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Enantioselective Direct Synthesis of C3-Hydroxyalkylated Pyrrole via an Amine-Catalyzed Aldol/Paal–Knorr Reaction Sequence

Organic letters, 2022-10, Vol.24 (41), p.7549-7554

2022

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Two-pot synthesis and photophysical studies of 1,6-disubstituted 5-aza-indoles from succinaldehyde and N -aryl propargylic-imines

Organic & biomolecular chemistry, 2021-12, Vol.19 (48), p.10601-10610

2021

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Identification of antiviral phytochemicals from cranberry as potential inhibitors of SARS-CoV-2 main protease (Mpro)

International journal of biological macromolecules, 2024-03, Vol.261 (Pt 1), p.129655-129655, Article 129655

2024

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Two-pot synthesis and photophysical studies of 1,6-disubstituted 5-aza-indoles from succinaldehyde and -aryl propargylic-imines

Organic & biomolecular chemistry, 2021-12, Vol.19 (48), p.161-161

2021

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PIFA-promoted intramolecular oxidative cyclization of pyrrolo- and indolo[1,2- a ]quinoxalino-appended porphyrins: an efficient synthesis of meso ,β-pyrrolo- and indolo[1,2- a ]quinoxalino-fused porphyrins

Organic & biomolecular chemistry, 2022-09, Vol.20 (35), p.7040-7046

2022

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Statistical analysis of photodegradation of methylene blue dye under natural sunlight

Optical materials, 2021-12, Vol.122, p.111809, Article 111809

2021

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Neural network for mechanical property estimation of multilayered laminate composite

Materials today : proceedings, 2020, Vol.28, p.982-985

2020

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Direct catalytic synthesis of β-(C3)-substituted pyrroles: a complementary addition to the Paal-Knorr reaction

Chemical communications (Cambridge, England), 2021-01, Vol.57 (2), p.251-254

2021

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Sequential multicomponent site-selective synthesis of 4-iodo and 5-iodopyrrole-3-carboxaldehydes from a common set of starting materials by tuning the conditions

Organic & biomolecular chemistry, 2020-02, Vol.18 (6), p.1155-1164

2020

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Two-pot sequential multicomponent metal-free synthesis of pyrrolo[2,3-]pyridazin-7-ones and pyrrolo[2,3-]pyrizidines

New journal of chemistry, 2023-08, Vol.47 (31), p.14637-14645

2023

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In silico and in vitro assays reveal potential inhibitors against 3CL pro main protease of SARS-CoV-2

Journal of biomolecular structure & dynamics, 2022-12, Vol.40 (23), p.12800-12811

2022

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Molecular dynamics simulation of dehydration of salt hydrates (MgSO4·7H2O and ZnSO4·7H2O)

Materials today : proceedings, 2020, Vol.28, p.1013-1017

2020

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Enantio- and Diastereoselective Two-Pot Synthesis of Isoquinuclidines from Glutaraldehyde and N‑Aryl Imines with DFT Calculations

Journal of organic chemistry, 2019-10, Vol.84 (19), p.12408-12419

2019

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Molecular dynamics study on thermal dehydration process of epsomite (MgSO4·7H2O)

Molecular simulation, 2014-11, Vol.40 (14), p.1157-1166

2014

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Kinetic Energy Correction Factor for a Converging–Diverging Nozzle

Advances in Computational Modeling and Simulation, 2022, p.131-138

2022

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Site Stability on Cobalt Nanoparticles: A Molecular Dynamics ReaxFF Reactive Force Field Study

Journal of physical chemistry. C, 2014-04, Vol.118 (13), p.6882-6886

2014

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Peptide inhibitors against SARS-CoV-2 2′-O-methyltransferase involved in RNA capping: A computational approach

Asymmetric Synthesis of Bridged N -Heterocycles with Tertiary Carbon Center through Barbas Dienamine-Catalysis: Scope and Applications

Electrochemical Oxidative Addition of Nucleophiles on 2‑Arylindoles: Synthesis of C2-Heteroquaternary Indolin-3-ones

Catalyst-free direct regiospecific multicomponent synthesis of C3-functionalized pyrroles

Electrochemical Synthesis of 2‑Aryl-3-(2-aminoaryl)quinoxalines via Oxidative Dearomatization/Ring-Opening/Cyclization Cascade Sequence of 2‑Arylindoles with 1,2-Diaminoarenes

Sunlight assisted photocatalytic degradation using the RSM-CCD optimized sustainable photocatalyst synthesized from galvanic wastewater

Organo‐Catalyzed Enantioselective [4+2] Annulation of Glutaraldehyde and C3‐Indolyl‐imines To Access Indol‐3‐yl‐piperidines

PIFA-promoted intramolecular oxidative cyclization of pyrrolo- and indolo[1,2-]quinoxalino-appended porphyrins: an efficient synthesis of ,β-pyrrolo- and indolo[1,2-]quinoxalino-fused porphyrins

Direct Amine-Catalyzed Enantioselective Synthesis of Pentacyclic Dibenzo[b,f][1,4]oxazepine/Thiazepine-Fused Isoquinuclidines along with DFT Calculations

Enantioselective Direct Synthesis of C3-Hydroxyalkylated Pyrrole via an Amine-Catalyzed Aldol/Paal–Knorr Reaction Sequence

Two-pot synthesis and photophysical studies of 1,6-disubstituted 5-aza-indoles from succinaldehyde and N -aryl propargylic-imines

Identification of antiviral phytochemicals from cranberry as potential inhibitors of SARS-CoV-2 main protease (Mpro)

Two-pot synthesis and photophysical studies of 1,6-disubstituted 5-aza-indoles from succinaldehyde and -aryl propargylic-imines

PIFA-promoted intramolecular oxidative cyclization of pyrrolo- and indolo[1,2- a ]quinoxalino-appended porphyrins: an efficient synthesis of meso ,β-pyrrolo- and indolo[1,2- a ]quinoxalino-fused porphyrins

Statistical analysis of photodegradation of methylene blue dye under natural sunlight

Neural network for mechanical property estimation of multilayered laminate composite

Direct catalytic synthesis of β-(C3)-substituted pyrroles: a complementary addition to the Paal-Knorr reaction

Sequential multicomponent site-selective synthesis of 4-iodo and 5-iodopyrrole-3-carboxaldehydes from a common set of starting materials by tuning the conditions

Two-pot sequential multicomponent metal-free synthesis of pyrrolo[2,3-]pyridazin-7-ones and pyrrolo[2,3-]pyrizidines

In silico and in vitro assays reveal potential inhibitors against 3CL pro main protease of SARS-CoV-2

Molecular dynamics simulation of dehydration of salt hydrates (MgSO4·7H2O and ZnSO4·7H2O)

Enantio- and Diastereoselective Two-Pot Synthesis of Isoquinuclidines from Glutaraldehyde and N‑Aryl Imines with DFT Calculations

Molecular dynamics study on thermal dehydration process of epsomite (MgSO4·7H2O)

Kinetic Energy Correction Factor for a Converging–Diverging Nozzle

Site Stability on Cobalt Nanoparticles: A Molecular Dynamics ReaxFF Reactive Force Field Study

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