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Salt formation, hydrogen‐bonding patterns and supramolecular architectures of acridine with salicylic and hippuric acid molecules

Acta crystallographica. Section C, Crystal structure communications, 2021-12, Vol.77 (12), p.790-799

2021

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Crystal structure and Hirshfeld surface analysis of 4-aminopyridinium thiocyanate–4-aminopyridine (1/1)

Acta crystallographica. Section E, Crystallographic communications, 2020-09, Vol.76 (9), p.1535-1538

2020

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Experimental and theoretical analyses and investigation of intermolecular interactions and antibacterial activity of a novel proton transfer compound:8-hydroxyquinolinium oxalate monohydrate

Heliyon, 2023-04, Vol.9 (4), p.e14703-e14703, Article e14703

2023

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Probing the binding nature and stability of highly transmissible mutated variant alpha to omicron of SARS‐CoV‐2 RBD with ACE2 via molecular dynamics simulation

Journal of cellular biochemistry, 2023-08, Vol.124 (8), p.1115-1134

2023

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Understanding the role of non-covalent interactions in acridine with different acids of salt molecules

Acta crystallographica. Section A, Foundations and advances, 2021-08, Vol.77 (a2), p.C395-C395

2021

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Binding properties of selective inhibitors of P323L mutated RdRp of SARS-CoV-2: a combined molecular screening, docking and dynamics simulation study

Journal of biomolecular structure & dynamics, 2024-05, Vol.42 (8), p.4283-4296

2024

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Dynamics and binding affinity of nucleoside and non-nucleoside inhibitors with RdRp of SARS-CoV-2: a molecular screening, docking, and molecular dynamics simulation study

Journal of biomolecular structure & dynamics, 2023-12, Vol.ahead-of-print (ahead-of-print), p.1-15

2023

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Investigation of intermolecular interactions and binding mechanism of PU139 and PU141 molecules with p300 HAT enzyme via molecular docking, molecular dynamics simulations and binding free energy analysis

Journal of biomolecular structure & dynamics, 2023-03, Vol.41 (4), p.1351-1365

2023

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Probing the intermolecular interactions, binding affinity, charge density distribution and dynamics of silibinin in dual targets AChE and BACE1: QTAIM and molecular dynamics perspective

Journal of biomolecular structure & dynamics, 2022-01, Vol.40 (23), p.12880-12894

2022

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Crystal structure, intermolecular interactions, charge density distribution and ADME properties of 2-Amino-4-methylpyridinium (oxalate) 0.5: An experimental and theoretical study

Chemical Data Collections, 2023-12, Vol.48, p.101100, Article 101100

2023

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Insights on structure and interactions of 2‐amino‐4‐methoxy‐6‐methylpyrimidinium salts with 4‐aminosalicylate and 5‐chlorosalicylate: a combined experimental and theoretical charge–density analysis

Acta crystallographica. Section C, Crystal structure communications, 2022-03, Vol.78 (3), p.181-191

2022

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Investigation of bond topological and electrostatic properties of plumbagin molecule: An experimental and theoretical charge density study

Journal of molecular structure, 2020-11, Vol.1220, p.128714, Article 128714

2020

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Dicyanodistyrylbenzene based positional isomers: a comparative study of AIEE and stimuli responsive multicolour fluorescence switching

New journal of chemistry, 2022-01, Vol.46 (3), p.1339-1346

2022

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DFT, molecular docking and molecular dynamics simulations of 2-imino-4-oxo-1,3-thiazolidine hydrochloride and its activity against Bacillus pasteurii urease

Zeitschrift für physikalische Chemie (Neue Folge), 2023-12, Vol.237 (12), p.2007-2018

2023

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Supramolecular Co-crystal of 2-amino-4-methoxy-6-methyl pyrimidine with sorbic acid: Synthesis, crystal structure and Hirshfeld surface analysis

Chemical Data Collections, 2020-10, Vol.29, p.100521, Article 100521

2020

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Supramolecular architectures, Hirshfeld surface analysis of 2-Amino 4-methyl pyridinium 4 amino salicylate and 2-Amino 4-methyl pyridinium 5 chloro salicylate

Chemical Data Collections, 2021-06, Vol.33, p.100670, Article 100670

2021

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Crystal structure and Hirshfeld surface analysis of 4-amino-pyridinium thio-cyanate-4-amino-pyridine (1/1)

Acta crystallographica. Section E, Crystallographic communications, 2020-09, Vol.76 (Pt 9), p.1535-1538

2020

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Syndromic Faces

Journal of Surgery, 2017-12, Vol.5 (12)

2017

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Severe acute respiratory syndrome‐coronavirus‐2: Current advances in therapeutic targets and drug development

Reviews in medical virology, 2021-05, Vol.31 (3), p.e2174-n/a

2021

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Experimental investigation on mechanical behavior of geopolymer light weight concrete

Matéria, 2023, Vol.28 (3)

2023

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Toxicity of seaweed-synthesized silver nanoparticles against the filariasis vector Culex quinquefasciatus and its impact on predation efficiency of the cyclopoid crustacean Mesocyclops longisetus

Parasitology research (1987), 2015-06, Vol.114 (6), p.2243-2253

2015

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Economics of chemical weed management in drum seeded rice (Oryza sativa L.)

Ecology, Environment and Conservation, 2024, Vol.30 (Suppl), p.189-191

2024

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A diagnosis of ovarian cyst using deep learning neural network with XGBoost algorithm

International journal of information technology (Singapore. Online), 2023-10, Vol.15 (7), p.3499-3506

2023

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Photocatalytic Degradation of 2,4-Dicholorophenoxyacetic Acid: A Herbicide by Nanocrystalline semiconductor material under Visible Light Irradiation

Materials today : proceedings, 2019, Vol.17, p.345-353

2019

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Targeted Drug Designing for Treating Masticatory Myofascial Pain Dysfunction Syndrome: An In Silico Simulation Study

Curēus (Palo Alto, CA), 2024-01

2024

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Salt formation, hydrogen‐bonding patterns and supramolecular architectures of acridine with salicylic and hippuric acid molecules

Crystal structure and Hirshfeld surface analysis of 4-aminopyridinium thiocyanate–4-aminopyridine (1/1)

Experimental and theoretical analyses and investigation of intermolecular interactions and antibacterial activity of a novel proton transfer compound:8-hydroxyquinolinium oxalate monohydrate

Probing the binding nature and stability of highly transmissible mutated variant alpha to omicron of SARS‐CoV‐2 RBD with ACE2 via molecular dynamics simulation

Understanding the role of non-covalent interactions in acridine with different acids of salt molecules

Binding properties of selective inhibitors of P323L mutated RdRp of SARS-CoV-2: a combined molecular screening, docking and dynamics simulation study

Dynamics and binding affinity of nucleoside and non-nucleoside inhibitors with RdRp of SARS-CoV-2: a molecular screening, docking, and molecular dynamics simulation study

Investigation of intermolecular interactions and binding mechanism of PU139 and PU141 molecules with p300 HAT enzyme via molecular docking, molecular dynamics simulations and binding free energy analysis

Probing the intermolecular interactions, binding affinity, charge density distribution and dynamics of silibinin in dual targets AChE and BACE1: QTAIM and molecular dynamics perspective

Crystal structure, intermolecular interactions, charge density distribution and ADME properties of 2-Amino-4-methylpyridinium (oxalate) 0.5: An experimental and theoretical study

Insights on structure and interactions of 2‐amino‐4‐methoxy‐6‐methylpyrimidinium salts with 4‐aminosalicylate and 5‐chlorosalicylate: a combined experimental and theoretical charge–density analysis

Investigation of bond topological and electrostatic properties of plumbagin molecule: An experimental and theoretical charge density study

Dicyanodistyrylbenzene based positional isomers: a comparative study of AIEE and stimuli responsive multicolour fluorescence switching

DFT, molecular docking and molecular dynamics simulations of 2-imino-4-oxo-1,3-thiazolidine hydrochloride and its activity against Bacillus pasteurii urease

Supramolecular Co-crystal of 2-amino-4-methoxy-6-methyl pyrimidine with sorbic acid: Synthesis, crystal structure and Hirshfeld surface analysis

Supramolecular architectures, Hirshfeld surface analysis of 2-Amino 4-methyl pyridinium 4 amino salicylate and 2-Amino 4-methyl pyridinium 5 chloro salicylate

Crystal structure and Hirshfeld surface analysis of 4-amino-pyridinium thio-cyanate-4-amino-pyridine (1/1)

Syndromic Faces

Severe acute respiratory syndrome‐coronavirus‐2: Current advances in therapeutic targets and drug development

Experimental investigation on mechanical behavior of geopolymer light weight concrete

Toxicity of seaweed-synthesized silver nanoparticles against the filariasis vector Culex quinquefasciatus and its impact on predation efficiency of the cyclopoid crustacean Mesocyclops longisetus

Economics of chemical weed management in drum seeded rice (Oryza sativa L.)

A diagnosis of ovarian cyst using deep learning neural network with XGBoost algorithm

Photocatalytic Degradation of 2,4-Dicholorophenoxyacetic Acid: A Herbicide by Nanocrystalline semiconductor material under Visible Light Irradiation

Targeted Drug Designing for Treating Masticatory Myofascial Pain Dysfunction Syndrome: An In Silico Simulation Study

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