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Computational Insights on the Potential of Some NSAIDs for Treating COVID-19: Priority Set and Lead Optimization

Molecules (Basel, Switzerland), 2021-06, Vol.26 (12), p.3772

2021

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Anticoagulants as Potential SARS-CoV-2 Mpro Inhibitors for COVID-19 Patients: In Vitro, Molecular Docking, Molecular Dynamics, DFT, and SAR Studies

International journal of molecular sciences, 2022-10, Vol.23 (20), p.12235

2022

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Novel topoisomerase II/EGFR dual inhibitors: design, synthesis and docking studies of naphtho[2′,3′:4,5]thiazolo[3,2-a]pyrimidine hybrids as potential anticancer agents with apoptosis inducing activity

Journal of enzyme inhibition and medicinal chemistry, 2023-12, Vol.38 (1), p.2205043-2205043

2023

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Design and synthesis of novel tetrabromophthalimide derivatives as potential tubulin inhibitors endowed with apoptotic induction for cancer treatment

Drug development research, 2024-06, Vol.85 (4), p.e22197-n/a

2024

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Revisiting activity of some glucocorticoids as a potential inhibitor of SARS-CoV-2 main protease: theoretical study

RSC advances, 2021-03, Vol.11 (17), p.127-142

2021

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Design, synthesis, biological evaluation, and SAR studies of novel cyclopentaquinoline derivatives as DNA intercalators, topoisomerase II inhibitors, and apoptotic inducers

New journal of chemistry, 2022-06, Vol.46 (23), p.11422-11436

2022

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β-Blockers bearing hydroxyethylamine and hydroxyethylene as potential SARS-CoV-2 Mpro inhibitors: rational based design, in silico , in vitro , and SAR studies for lead optimization

RSC advances, 2021-10, Vol.11 (56), p.35536-35558

2021

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Repurposed organoselenium tethered amidic acids as apoptosis inducers in melanoma cancer via P53, BAX, caspases-3, 6, 8, 9, BCL-2, MMP2, and MMP9 modulations

RSC advances, 2024-06, Vol.14 (26), p.18576-18587

2024

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In vitro and computational insights revealing the potential inhibitory effect of Tanshinone IIA against influenza A virus

Computers in biology and medicine, 2022-02, Vol.141, p.105149-105149, Article 105149

2022

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Experimental design of D-α-tocopherol polyethylene glycol 1000 succinate stabilized bile salt based Nano-vesicles for improved cytotoxicity and bioavailability of colchicine binding site inhibitor Candidates: In Vitro, in silico, and pharmacokinetic studies

International journal of pharmaceutics, 2023-06, Vol.640, p.122980-122980, Article 122980

2023

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Ligand-based design, synthesis, computational insights, and in vitro studies of novel N-(5-Nitrothiazol-2-yl)-carboxamido derivatives as potent inhibitors of SARS-CoV-2 main protease

Journal of enzyme inhibition and medicinal chemistry, 2022-12, Vol.37 (1), p.2112-2132

2022

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Analysis of the ternary antiretroviral therapy dolutegravir, lamivudine and abacavir using UV spectrophotometry and chemometric tools

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2022-01, Vol.264, p.120334, Article 120334

2022

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A Systematic Review of the Global Intervention for SARS-CoV-2 Combating: From Drugs Repurposing to Molnupiravir Approval

Drug design, development and therapy, 2022-01, Vol.16, p.685-715

2022

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Investigating the potential anticancer activities of antibiotics as topoisomerase II inhibitors and DNA intercalators: in vitro, molecular docking, molecular dynamics, and SAR studies

Journal of enzyme inhibition and medicinal chemistry, 2023-12, Vol.38 (1), p.2171029

2023

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In Silico and In Vitro Studies for Benzimidazole Anthelmintics Repurposing as VEGFR-2 Antagonists: Novel Mebendazole-Loaded Mixed Micelles with Enhanced Dissolution and Anticancer Activity

ACS omega, 2022-01, Vol.7 (1), p.875-899

2022

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Ligand-based design and synthesis of N'-Benzylidene-3,4-dimethoxybenzohydrazide derivatives as potential antimicrobial agents; evaluation by in vitro, in vivo, and in silico approaches with SAR studies

Journal of enzyme inhibition and medicinal chemistry, 2022-12, Vol.37 (1), p.1098-1119

2022

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Multi-target rational design and synthesis of novel diphenyl-tethered pyrazolopyrimidines targeting EGFR and topoisomerase II with potential DNA intercalation and apoptosis induction

Bioorganic chemistry, 2024-04, Vol.145, p.107223-107223, Article 107223

2024

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Coronavirus Disease (COVID-19) Control between Drug Repurposing and Vaccination: A Comprehensive Overview

Vaccines (Basel), 2021-11, Vol.9 (11), p.1317

2021

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Design and synthesis of novel pyrazolopyrimidine candidates as promising EGFR-T790M inhibitors and apoptosis inducers

Future medicinal chemistry, 2023-10, Vol.15 (19), p.1773-1790

2023

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Biological evaluation, docking studies, and in silico ADME prediction of some pyrimidine and pyridine derivatives as potential EGFRWT and EGFRT790M inhibitors

Journal of enzyme inhibition and medicinal chemistry, 2023-12, Vol.38 (1), p.176-191

2023

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Development and Validation of RP-HPLC Method for Simultaneous Estimation of Tiotropium Bromide, Formoterol Fumarate, and Olodaterol HCl in Bulk and Metered Dose Aerosols: Application to Olodaterol HCl Forced Degradation Study and Degradation Kinetics

Chromatographia, 2017-12, Vol.80 (12), p.1749-1760

2017

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Design and Synthesis of Novel 5-((3-(Trifluoromethyl)piperidin-1-yl)sulfonyl)indoline-2,3-dione Derivatives as Promising Antiviral Agents: In Vitro, In Silico, and Structure–Activity Relationship Studies

Pharmaceuticals (Basel, Switzerland), 2023-09, Vol.16 (9), p.1247

2023

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Partnering essential oils with antibiotics: proven therapies against bovine Staphylococcus aureus mastitis

Frontiers in cellular and infection microbiology, 2023-09, Vol.13, p.1265027-1265027

2023

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Phytochemical Characterization of Pterocephalus frutescens with In-Silico Evaluation as Chemotherapeutic Medicine and Oral Pharmacokinetics Prediction Study

Scientia pharmaceutica, 2023-01, Vol.91 (1), p.7

2023

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Tamarindus indica Extract as a Promising Antimicrobial and Antivirulence Therapy

Antibiotics (Basel), 2023-02, Vol.12 (3), p.464

2023

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Computational Insights on the Potential of Some NSAIDs for Treating COVID-19: Priority Set and Lead Optimization

Anticoagulants as Potential SARS-CoV-2 Mpro Inhibitors for COVID-19 Patients: In Vitro, Molecular Docking, Molecular Dynamics, DFT, and SAR Studies

Novel topoisomerase II/EGFR dual inhibitors: design, synthesis and docking studies of naphtho[2′,3′:4,5]thiazolo[3,2-a]pyrimidine hybrids as potential anticancer agents with apoptosis inducing activity

Design and synthesis of novel tetrabromophthalimide derivatives as potential tubulin inhibitors endowed with apoptotic induction for cancer treatment

Revisiting activity of some glucocorticoids as a potential inhibitor of SARS-CoV-2 main protease: theoretical study

Design, synthesis, biological evaluation, and SAR studies of novel cyclopentaquinoline derivatives as DNA intercalators, topoisomerase II inhibitors, and apoptotic inducers

β-Blockers bearing hydroxyethylamine and hydroxyethylene as potential SARS-CoV-2 Mpro inhibitors: rational based design, in silico , in vitro , and SAR studies for lead optimization

Repurposed organoselenium tethered amidic acids as apoptosis inducers in melanoma cancer via P53, BAX, caspases-3, 6, 8, 9, BCL-2, MMP2, and MMP9 modulations

In vitro and computational insights revealing the potential inhibitory effect of Tanshinone IIA against influenza A virus

Experimental design of D-α-tocopherol polyethylene glycol 1000 succinate stabilized bile salt based Nano-vesicles for improved cytotoxicity and bioavailability of colchicine binding site inhibitor Candidates: In Vitro, in silico, and pharmacokinetic studies

Ligand-based design, synthesis, computational insights, and in vitro studies of novel N-(5-Nitrothiazol-2-yl)-carboxamido derivatives as potent inhibitors of SARS-CoV-2 main protease

Analysis of the ternary antiretroviral therapy dolutegravir, lamivudine and abacavir using UV spectrophotometry and chemometric tools

A Systematic Review of the Global Intervention for SARS-CoV-2 Combating: From Drugs Repurposing to Molnupiravir Approval

Investigating the potential anticancer activities of antibiotics as topoisomerase II inhibitors and DNA intercalators: in vitro, molecular docking, molecular dynamics, and SAR studies

In Silico and In Vitro Studies for Benzimidazole Anthelmintics Repurposing as VEGFR-2 Antagonists: Novel Mebendazole-Loaded Mixed Micelles with Enhanced Dissolution and Anticancer Activity

Ligand-based design and synthesis of N'-Benzylidene-3,4-dimethoxybenzohydrazide derivatives as potential antimicrobial agents; evaluation by in vitro, in vivo, and in silico approaches with SAR studies

Multi-target rational design and synthesis of novel diphenyl-tethered pyrazolopyrimidines targeting EGFR and topoisomerase II with potential DNA intercalation and apoptosis induction

Coronavirus Disease (COVID-19) Control between Drug Repurposing and Vaccination: A Comprehensive Overview

Design and synthesis of novel pyrazolopyrimidine candidates as promising EGFR-T790M inhibitors and apoptosis inducers

Biological evaluation, docking studies, and in silico ADME prediction of some pyrimidine and pyridine derivatives as potential EGFRWT and EGFRT790M inhibitors

Development and Validation of RP-HPLC Method for Simultaneous Estimation of Tiotropium Bromide, Formoterol Fumarate, and Olodaterol HCl in Bulk and Metered Dose Aerosols: Application to Olodaterol HCl Forced Degradation Study and Degradation Kinetics

Design and Synthesis of Novel 5-((3-(Trifluoromethyl)piperidin-1-yl)sulfonyl)indoline-2,3-dione Derivatives as Promising Antiviral Agents: In Vitro, In Silico, and Structure–Activity Relationship Studies

Partnering essential oils with antibiotics: proven therapies against bovine Staphylococcus aureus mastitis

Phytochemical Characterization of Pterocephalus frutescens with In-Silico Evaluation as Chemotherapeutic Medicine and Oral Pharmacokinetics Prediction Study

Tamarindus indica Extract as a Promising Antimicrobial and Antivirulence Therapy

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