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Identification of Severe Acute Respiratory Syndrome Coronavirus‐2 inhibitors through in silico structure‐based virtual screening and molecular interaction studies

Journal of molecular recognition, 2021-10, Vol.34 (10), p.n/a

2021

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Molecular docking, PASS analysis, bioactivity score prediction, synthesis, characterization and biological activity evaluation of a functionalized 2-butanone thiosemicarbazone ligand and its complexes

Journal of chemical biology, 2017-07, Vol.10 (3), p.91-104

2017

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Phenanthridine derivatives as promising new anticancer agents: synthesis, biological evaluation and binding studies

Future medicinal chemistry, 2020-04, Vol.12 (8), p.709-739

2020

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Updates on drug designing approach through computational strategies: a review

Future science OA, 2023-06, Vol.9 (5), p.FSO862-FSO862

2023

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Isatin Conjugates as Antibacterial Agents: A Brief Review

Medicinal chemistry (Shp-sariqah, United Arab Emirates), 2023-01, Vol.19 (5), p.413

2023

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Chemical Characterization, In-silico Evaluation, and Molecular Docking Analysis of Antiproliferative Compounds Isolated from the Bark of Anthocephalus cadamba Miq

Anti-cancer agents in medicinal chemistry, 2022-01, Vol.22 (20), p.3416

2022

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Computational Drug Designing and Prediction Of Important Parameters Using in silico Methods- A Review

Current computer-aided drug design, 2019-01, Vol.15 (5), p.384

2019

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Structure based docking and biological evaluation towards exploring potential anti-cancerous and apoptotic activity of 6-Gingerol against human prostate carcinoma cells

BMC complementary medicine and therapies, 2024-01, Vol.24 (1), p.8-8, Article 8

2024

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Recent advances in the synthesis of pyrazoline derivatives from chalcones as potent pharmacological agents: A comprehensive review

Results in Chemistry, 2024-01, Vol.7, p.101326, Article 101326

2024

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Molecular structure simulation of (E)-2-(butan-2-ylidene) hydrazinecarbothioamide using the DFT approach, and antioxidant potential assessment of its complexes

Journal of King Saud University. Science, 2021-03, Vol.33 (2), p.101313, Article 101313

2021

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A Critical Review on Advances in the Multicomponent Synthesis of Pyrroles

Oriental journal of chemistry, 2018-01, Vol.34 (4), p.1670-1700

2018

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Exploring the novel heterocyclic derivatives as lead molecules for design and development of potent anticancer agents

Journal of molecular graphics & modelling, 2018-05, Vol.81, p.211-228

2018

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Wastewater generation and treatment by various eco-friendly technologies: Possible health hazards and further reuse for environmental safety

Chemosphere (Oxford), 2023-02, Vol.313, p.137547, Article 137547

2023

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Synthesis, quantum chemical study, AIM simulation, in silico ADMET profile analysis, molecular docking and antioxidant activity assessment of aminofuran derivatives

Journal of molecular structure, 2020-03, Vol.1203, p.127285, Article 127285

2020

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Determination of anticancer activity and mechanism of action of benzooxazepines (BZOs) derivatives using multipronged computational and structural approaches

Chemical physics, 2024-05, Vol.581, p.112243, Article 112243

2024

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Computer-aided drug design and virtual screening of targeted combinatorial libraries of mixed-ligand transition metal complexes of 2-butanone thiosemicarbazone

Computational biology and chemistry, 2018-08, Vol.75, p.178-195

2018

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Analyzing Indole-fused benzooxazepines as inhibitors of apoptosis pathway-related proteins using multifaceted computational medicinal chemistry

Journal of molecular structure, 2023-02, Vol.1274, p.134541, Article 134541

2023

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Evaluation of anticancer activity of N H/N-Me Aziridine derivatives as a potential poly (ADP-ribose) polymerase 1 inhibitor

Journal of molecular structure, 2022-06, Vol.1258, p.132689, Article 132689

2022

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A Simplistic Approach for Preparation of Alkylidenemalononitrile Derivatives: Characterization, In silico Studies, Quantum Chemical Evaluation, Molecular Docking, and In vitro Biological Activity Evaluation

Journal of molecular structure, 2021-03, Vol.1228, p.129451, Article 129451

2021

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Evaluation of anticancer activity of NH/N-Me Aziridine derivatives as a potential poly (ADP-ribose) polymerase 1 inhibitor

Journal of molecular structure, 2022-06, Vol.1258, Article 132689

2022

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Evaluation of pyrrole-2,3-dicarboxylate derivatives: Synthesis, DFT analysis, molecular docking, virtual screening and in vitro anti-hepatic cancer study

Journal of molecular structure, 2019-01, Vol.1176, p.314-334

2019

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In vitro and in silico growth inhibitory, anti-ovarian & anti-lung carcinoma effects of 1,5 diarylpenta-1,4-dien-3-one as synthetically modified curcumin analogue

Journal of biomolecular structure & dynamics, 2022-11, Vol.40 (18), p.8569-8586

2022

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Synthesis, computational drug likeness, DFT studies and in vitro biological activity evaluation of some heteronuclear complexes of functionalized (E)‐2‐(butan‐2‐ylidene) hydrazinecarbothioamide ligand

Vietnam journal of chemistry, 2023-08, Vol.61 (4), p.514-531

2023

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Adoption of sustainability initiatives in Indiana, Kentucky, and Ohio

Local environment, 2009-02, Vol.14 (2), p.109-125

2009

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Synthesis, characterization, computational studies and biological activity evaluation of Cu, Fe, Co and Zn complexes with 2-butanone thiosemicarbazone and 1,10-phenanthroline ligands as anticancer and antibacterial agents

EXCLI journal, 2018-01, Vol.17, p.331-348

2018

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Identification of Severe Acute Respiratory Syndrome Coronavirus‐2 inhibitors through in silico structure‐based virtual screening and molecular interaction studies

Molecular docking, PASS analysis, bioactivity score prediction, synthesis, characterization and biological activity evaluation of a functionalized 2-butanone thiosemicarbazone ligand and its complexes

Phenanthridine derivatives as promising new anticancer agents: synthesis, biological evaluation and binding studies

Updates on drug designing approach through computational strategies: a review

Isatin Conjugates as Antibacterial Agents: A Brief Review

Chemical Characterization, In-silico Evaluation, and Molecular Docking Analysis of Antiproliferative Compounds Isolated from the Bark of Anthocephalus cadamba Miq

Computational Drug Designing and Prediction Of Important Parameters Using in silico Methods- A Review

Structure based docking and biological evaluation towards exploring potential anti-cancerous and apoptotic activity of 6-Gingerol against human prostate carcinoma cells

Recent advances in the synthesis of pyrazoline derivatives from chalcones as potent pharmacological agents: A comprehensive review

Molecular structure simulation of (E)-2-(butan-2-ylidene) hydrazinecarbothioamide using the DFT approach, and antioxidant potential assessment of its complexes

A Critical Review on Advances in the Multicomponent Synthesis of Pyrroles

Exploring the novel heterocyclic derivatives as lead molecules for design and development of potent anticancer agents

Wastewater generation and treatment by various eco-friendly technologies: Possible health hazards and further reuse for environmental safety

Synthesis, quantum chemical study, AIM simulation, in silico ADMET profile analysis, molecular docking and antioxidant activity assessment of aminofuran derivatives

Determination of anticancer activity and mechanism of action of benzooxazepines (BZOs) derivatives using multipronged computational and structural approaches

Computer-aided drug design and virtual screening of targeted combinatorial libraries of mixed-ligand transition metal complexes of 2-butanone thiosemicarbazone

Analyzing Indole-fused benzooxazepines as inhibitors of apoptosis pathway-related proteins using multifaceted computational medicinal chemistry

Evaluation of anticancer activity of N H/N-Me Aziridine derivatives as a potential poly (ADP-ribose) polymerase 1 inhibitor

A Simplistic Approach for Preparation of Alkylidenemalononitrile Derivatives: Characterization, In silico Studies, Quantum Chemical Evaluation, Molecular Docking, and In vitro Biological Activity Evaluation

Evaluation of anticancer activity of NH/N-Me Aziridine derivatives as a potential poly (ADP-ribose) polymerase 1 inhibitor

Evaluation of pyrrole-2,3-dicarboxylate derivatives: Synthesis, DFT analysis, molecular docking, virtual screening and in vitro anti-hepatic cancer study

In vitro and in silico growth inhibitory, anti-ovarian & anti-lung carcinoma effects of 1,5 diarylpenta-1,4-dien-3-one as synthetically modified curcumin analogue

Synthesis, computational drug likeness, DFT studies and in vitro biological activity evaluation of some heteronuclear complexes of functionalized (E)‐2‐(butan‐2‐ylidene) hydrazinecarbothioamide ligand

Adoption of sustainability initiatives in Indiana, Kentucky, and Ohio

Synthesis, characterization, computational studies and biological activity evaluation of Cu, Fe, Co and Zn complexes with 2-butanone thiosemicarbazone and 1,10-phenanthroline ligands as anticancer and antibacterial agents

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