Discovering biological efficacy of new thiadiazole as effective inhibitors of urease, glycation, and (DPPH) scavengers: Biochemical and in silico study

by Taha M.; Imran S.; Rahim F.; Uddin N.; Iqbal N.; Khan K.M.; Farooq R.K.; Alomari M.; Islam I.; Algheribe S.
Published in Journal of Molecular Structure (2023)

Synthesis of Benzofuran–based Schiff bases as anti-diabetic compounds and their molecular docking studies

by Adalat B.; Rahim F.; Taha M.; Hayat S.; Iqbal N.; Ali Z.; Shah S.A.A.; Wadood A.; Rehman A.U.; Khan K.M.
Published in Journal of Molecular Structure (2022)

Synthesis of benzimidazole derivatives as potent inhibitors for α-amylase and their molecular docking study in management of type-II diabetes

by Hussain S.; Taha M.; Rahim F.; Hayat S.; Zaman K.; Iqbal N.; Selvaraj M.; Sajid M.; Bangesh M.A.; Khan F.; Khan K.M.; Uddin N.; Shah S.A.A.; Ali M.
Published in Journal of Molecular Structure (2021)

Synthesis of halogenated [1,1′-biphenyl]-4-yl benzoate and [1,1′:3′,1″- terphenyl]-4′-yl benzoate by palladium catalyzed cascade C–C coupling and structural analysis through computational approach

by Imran H.M.; Rasool N.; Kanwal I.; Hashmi M.A.; Altaf A.A.; Ahmed G.; Malik A.; Kausar S.; Ud-Din Khan S.; Ahmad A.; Ali Shah S.A.
Published in Journal of Molecular Structure (2020)

Isatin based thiosemicarbazide derivatives as potential inhibitor of α-glucosidase, synthesis and their molecular docking study

by Rahim F.; Taha M.; Iqbal N.; Hayat S.; Qureshi F.; Uddin I.; Zaman K.; Rab A.; Wadood A.; Uddin N.; Nawaz M.; Shah S.A.A.; Khan K.M.
Published in Journal of Molecular Structure (2020)

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

by Rocha, Mariana; Saeed, Aamer; Gil, Diego M.; Echeverria, Gustavo A.; Piro, Oscar E.; Khurshid, Asma; Arshad, Muhammad; Shah, Syed Adnan Ali; Erben, Mauricio Federico
Published in JOURNAL OF MOLECULAR STRUCTURE (2025)

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

by Usman, Muhammad; Alam, Aftab; Zainab; Khan, Majid; Elhenawy, Ahmed A.; Ayaz, Muhammad; Alanazi, Mohammed M.; Latif, Abdul; Shah, Syed Adnan Ali; Ali, Mumtaz; Ahmad, Manzoor
Published in JOURNAL OF MOLECULAR STRUCTURE (2025)

Measurement of the water absorption on hybrid carbon fibre prepreg waste composite and its impact on flexural performance

by Shukri, Ahmad Ashari Ahmad; Nosbi, Norlin; Omar, Mohd Firdaus; Md Saleh, Siti Shuhadah; Othman, Muhammad Bisyrul Hafi; Najib, Norazwana Mohd; Wan Ali, Wan Fahmin Faiz
Published in FUNCTIONAL COMPOSITES AND STRUCTURES (2024)

Convergent synthesis, kinetics and computational attributions of indole-N-phenyltriazole hybrids bearing N-(aryl)butanamides as alkaline phosphatase inhibitors

by Shakila; Abbasi M.A.; Aziz-ur-Rehman; Siddiqui S.Z.; Nazir M.; Raza H.; Shah S.A.A.; Ayine-Tora D.M.; Shahid M.; Kim S.J.
Published in Journal of Molecular Structure (2025)

Experimental and computational profiling of novel bis-Schiff base derivatives bearing α-naphthalene moiety as potential tyrosinase inhibitors

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

Synthesis, enzyme inhibitory kinetics, & computational studies of N-(substituted phenyl)-(5-(3,4-dichlorobenzyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-ylthio)methylbenzamides: As p...

by Zeb A.; Siddiqui S.Z.; Abbasi M.A.; Aziz-ur-Rehman; Shah S.A.A.; Imran S.; Raza H.; Kim S.J.; Parveen R.; Abbas G.
Published in Journal of Molecular Structure (2025)

Synthesis and anti-cancer investigations of copper(II) complexes based on adenine

by Zhai X.; Hanibah H.; Hashim N.Z.N.; Zhang J.; Ma X.; Wei L.; Zhou X.
Published in Journal of Molecular Structure (2024)

Measurement of the water absorption on hybrid carbon fibre prepreg waste composite and its impact on flexural performance

by Ahmad Shukri A.A.; Nosbi N.; Omar M.F.; Md Saleh S.S.; Othman M.B.H.; Najib N.M.; Wan Ali W.F.F.
Published in Functional Composites and Structures (2024)

Natural polymers: Their blends, composites and nanocomposites: State of art, new challenges and opportunities

by Visakh P.M.; Mathew A.P.; Thomas S.
Published in Advanced Structured Materials (2013)

Synthesis, characterization, in-vitro and in-silico therapeutic studies of cinnamaldehyde derivatives

by Singh N.; Yadav S.S.; Kumar S.; Narasihman B.; Ramasamy K.; Lim S.M.; Shah S.A.A.
Published in Journal of Molecular Structure (2025)

Synthesis, biological evaluation, molecular docking and dynamic simulation of novel benzofuran derivatives as potential agents against Alzheimer's disease

by Nadeem M.S.; Hayat S.; Rahim F.; Khan J.A.; Ullah H.; Taha M.; Gupta G.; Wadood A.; Shah S.A.A.; Kazmi I.; Iftikhar S.; Muhammad K.
Published in Journal of Molecular Structure (2025)

Multi-step synthesis, kinetics and in silico explorations of indole-Phenyl-1,2,4-triazole Bi-heterocyclic hybrids unified with 3-substituted benzamides as elastase inhibitors

by Shakila; Abbasi M.A.; Aziz-ur-Rehman; Siddiqui S.Z.; Nazir M.; Muhammad S.; Raza H.; Shah S.A.A.; Shahid M.; Chaudhry A.R.; Kim S.J.
Published in Journal of Molecular Structure (2025)

Reactions of Ru3(CO)12 with 1,5-bis(diphenylphosphino)pentane: Synthesis, characterization, crystal structure, Hirshfeld surface and QTAIM Analysis of Ru3(CO)10(µ-dpppe)

by Sirat S.S.; Rosli M.M.; Arshad S.; Al‐Ibadi M.A.M.; Hassan A.H.; Yusof E.N.M.; Shawkataly O.B.
Published in Journal of Molecular Structure (2025)

Synthesis of novel indazole derivatives as inhibitors of diabetics II along with molecular docking and simulation study

by Al-Nasser F.; Taha M.; Rahim F.; Adalat B.; Chigurupati S.; Nawaz M.; Ajmal A.; Wadood A.; Uddin N.; Khan K.M.; Ali shah S.A.; Felemban S.G.; Venugopal V.
Published in Journal of Molecular Structure (2025)

Synthesis, characterization, in-vitro and in-silico therapeutic studies of cinnamaldehyde derivatives

by Singh, Neetu; Yadav, Surender Singh; Kumar, Sanjiv; Narasihman, Balasubramanian; Ramasamy, Kalavathy; Lim, Siong Meng; Shah, Syed Adnan Ali
Published in JOURNAL OF MOLECULAR STRUCTURE (2025)