Design, synthesis and computational studies of N-(substituted-phenyl)-4-(4-phenyl-1-piperazinyl)butanamides as potent anti-melanogenic and tyrosinase inhibitors

by Raza H.; Abbasi M.A.; Rehman A.-U.; Siddiqui S.Z.; Hassan M.; Shah S.A.A.; Shahid M.; Hong H.; Seo S.-Y.
Published in Journal of Molecular Structure (2020)

Design and synthesis of a novel mPGES-1 lead inhibitor guided by 3D-QSAR CoMFA

by Fasihi Mohd Aluwi M.F.; Rullah K.; Koeberle A.; Werz O.; Abdul Razak N.S.; Wei L.S.; Salim F.; Ismail N.H.; Jantan I.; Wai L.K.
Published in Journal of Molecular Structure (2019)

(1E)-1-(2-pyrazinyl)ethanone thiosemicarbazone (PT) as a tyrosinase inhibitor with anti-browning activity: Spectroscopy, DFT and molecular docking studies

by Shamsuri S.S.; Normaya E.; Ismail H.; Iqbal A.; Piah M.B.M.; Farina Y.; Hamzah A.S.; Ahmad M.N.
Published in Journal of Molecular Structure (2023)

Secondary metabolite profiling, antioxidant capacity, enzyme inhibitory potential and in silico studies of Launaea intybacea (Jacq.) Beauverd: A multifunctional approach to probe i...

by Qurat-ul-Ain; Saleem M.; Nazir M.; Riaz N.; Tousif M.I.; Tauseef S.; Hassan L.; Zengin G.; Sharifi-Rad M.; Shah S.A.A.
Published in Journal of Molecular Structure (2023)

Design and synthesis of chalcone derivatives as potent tyrosinase inhibitors and their structural activity relationship

by Akhtar M.N.; Sakeh N.M.; Zareen S.; Gul S.; Lo K.M.; Ul-Haq Z.; Shah S.A.A.; Ahmad S.
Published in Journal of Molecular Structure (2015)

Exploring the synthesis, molecular structure and biological activities of novel Bis-Schiff base derivatives: A combined theoretical and experimental approach

by Gul, Sana; Alam, Aftab; Zainab; Mohammad, Assad; Elhenawy, Ahmed A.; Islam, Mohammad Shahidul; Shah, Syed Adnan Ali; Parveen, Zahida; Shah, Tanzeela Ahmad; Ahmad, Manzoor
Published in JOURNAL OF MOLECULAR STRUCTURE (2024)

Multi-step synthesis of indole-N-ethyltriazole hybrids amalgamated with N-arylated ethanamides: structure-activity relationship and mechanistic explorations through tyrosinase inhi...

by Shakila; Abbasi M.A.; Aziz-ur-Rehman; Siddiqui S.Z.; Nazir M.; Raza H.; Zafar A.; Shah S.A.A.; Shahid M.; Seo S.-Y.
Published in Journal of Molecular Structure (2022)

Design, synthesis of triazole-based scaffolds, N-(substitutedphenyl)-2-(5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-ylthiol)acetamides: As potential anti-cholinesterase agents...

by Siddiqui S.Z.; Arfan M.; Abbasi M.A.; Aziz-ur-Rehman; Shah S.A.A.; Parveen R.; Ashraf M.; Solangi M.; Hussain S.; Khan K.M.
Published in Journal of Molecular Structure (2023)

Investigation of antiproliferative mechanisms of Alstonia angustiloba-silver nanoparticles in skin squamous cell carcinoma (A431 cell line)

by Rahim N.A.; Mail M.H.; Muhamad M.; Sapuan S.; SMN Mydin R.B.; Seeni A.
Published in Journal of Molecular Structure (2022)

Synthesis, characterization, enzyme inhibition and molecular docking studies of benzothiazole derivatives bearing alkyl phenyl ether fragments

by Usman M.; Alam A.; Zainab; Khan M.; Elhenawy A.A.; Ayaz M.; Alanazi M.M.; Latif A.; Shah S.A.A.; Ali M.; Ahmad M.
Published in Journal of Molecular Structure (2025)

Crystal engineering with novel antipyrine derivatives: Insights from X-ray diffraction, Hirshfeld surface analysis, and DFT calculations on intermolecular interactions

by Rocha M.; Saeed A.; Gil D.M.; Echeverría G.A.; Piro O.E.; Khurshid A.; Arshad M.; Shah S.A.A.; Erben M.F.
Published in Journal of Molecular Structure (2025)

Investigation of novel benzimidazole-based indole/thiazole hybrids derivatives as effective anti-diabetics and anti-alzheimer's agents: Structure-activity relationship insight, in...

by Naz H.; Othman M.S.; Rahim F.; Hussain R.; Khan S.; Taha M.; Hafez M.M.; Abdel-Hafez L.J.; Ullah H.; Khan I.U.; Khan Y.; Shah S.A.A.
Published in Journal of Molecular Structure (2024)

New benzimidazole based Schiff bases as potent anti-alzheimer agents: Synthesis, bio-evaluation and molecular docking study

by Othman M.S.; Hayat S.; Rahim F.; Taha M.; Sajid M.; Khan S.; Iqbal W.; Shah S.A.A.; Fareid M.A.; Aboelnaga S.M.; Abdel-Hafez L.J.; Hafez M.M.
Published in Journal of Molecular Structure (2024)

Exploring diabetics II inhibitors based on benzodioxin derivatives, structure activity relationship, molecular docking and ADME property study

by Al-Abdulbaqi M.A.; Taha M.; Rahim F.; Uddin I.; Uddin N.; Wadood A.; Haq S.; Iqbal N.; Khan K.M.; Ali shah S.A.; Ali M.
Published in Journal of Molecular Structure (2024)

New piperidinyl heterocyclic azoles acquired through Li(I)-catalyzed reactions: Anti-enzymatic, ADME and computational studies

by Hamid S.; Amjad H.; Abbasi M.A.; Siddiqui S.Z.; Ashraf M.; Iqbal J.; Farhan M.; Rasool S.; Shah S.A.A.; Imran S.; Rehman M.T.; Rehman A.-U.
Published in Journal of Molecular Structure (2024)

Synthesis, biological evaluation and molecular docking study of indazole based schiff base analogues as new anti-diabetic inhibitors

by Taha M.; Gilani S.J.; Kazmi I.; Rahim F.; Adalat B.; Ullah H.; Nawaz F.; Wadood A.; Ali Z.; Shah S.A.A.; Khan K.M.
Published in Journal of Molecular Structure (2024)

Multi-selective reaction of azinane bearing oxadiazoles and substituted haloalkanes catalyzed by alkali metal hydride to access anti-enzymatic agents

by Umair M.; Aziz-ur-Rehman; Abbasi M.A.; Siddiqui S.Z.; Iqbal J.; Rasool S.; Khan S.U.; Shah S.A.A.
Published in Journal of Molecular Structure (2024)

Discovery of imidazopyridine derived oxadiazole-based thiourea derivatives as potential anti-diabetic agents: Synthesis, in vitro antioxidant screening and in silico molecular mode...

by Hussain R.; Rehman W.; Rahim F.; Khan S.; Taha M.; Khan Y.; Sardar A.; Khan I.; Shah S.A.A.
Published in Journal of Molecular Structure (2023)

Synthesis, biological evaluation and molecular docking study of oxindole based chalcone analogues as potent anti-Alzheimer agents

by Taha M.; Sadia H.; Rahim F.; Khan M.I.; Hayat S.; Iqbal N.; Nawaz F.; Ullah H.; Zada H.; Shah S.A.A.; Wadood A.; Farooq R.K.; Khan K.M.
Published in Journal of Molecular Structure (2023)

In vitro and in silico assessment of bioactivity properties and pharmacokinetic studies of new 3,5-disubstituted-1,2,4-triazoles

by Amjad H.; Abbasi M.A.; Siddiqui S.Z.; Iqbal J.; Rasool S.; Ashraf M.; Hussain S.; Shah S.A.A.; Imran S.; Shahid M.; Rasool A.; Rehman M.T.; Rehman A.U.
Published in Journal of Molecular Structure (2023)