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

by Al-Nasser, Fatema; Taha, Muhammad; Rahim, Fazal; Adalat, Bushra; Chigurupati, Sridevi; Nawaz, Muhammad; Ajmal, Amar; Wadood, Abdul; Uddin, Nizam; Khan, Khalid Mohammed; Shah, Syed Adnan Ali; Felemban, Shatha Ghazi; Venugopal, Vijayan
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, 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)

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)

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, Aurang; Siddiqui, Sabahat Zahra; Abbasi, Muhammad Athar; Aziz-ur-Rehman; Shah, Syed Adnan Ali; Imran, Syahrul; Raza, Hussain; Kim, Song Ja; Parveen, Riffat; Abbas, Ghazanfar
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, Muhammad Athar; Aziz-ur-Rehman; Siddiqui, Sabahat Zahra; Nazir, Majid; Muhammad, Shabbir; Raza, Hussain; Shah, Syed Adnan Ali; Shahid, Muhammad; Chaudhry, Aijaz Rasool; Kim, Song Ja
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, Muhammad Shahid; Hayat, Shawkat; Rahim, Fazal; Khan, Jalaluddin Azam; Ullah, Hayat; Taha, Muhammad; Gupta, Gaurav; Wadood, Abdul; Shah, Syed Adnan Ali; Kazmi, Imran; Iftikhar, Saima; Muhammad, Khushi
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, Siti Syaida; Rosli, Mohd Mustaqim; Arshad, Suhana; Al-Ibadi, Muhsen Abood Muhsen; Hassan, Ahlam Hussein; Yusof, Enis Nadia Md; Bin Shawkataly, Omar
Published in JOURNAL OF MOLECULAR STRUCTURE (2025)

Identification of new structure of indol-3-acetyl-arylsulfonohydrazide as potent α-glucosidase and α-amylase inhibitors and molecular docking

by Taha, Muhammad; Rahim, Fazal; Zaman, Khalid; Imran, Syahrul; Khan, Khalid Mohammed; Shah, Syed Adnan Ali; Uddin, Nizam
Published in JOURNAL OF MOLECULAR STRUCTURE (2025)

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)

Synthesis, biological evaluation and molecular docking study of benzimidazole derivatives as α-glucosidase inhibitors and anti-diabetes candidates

by Hayat S.; Ullah H.; Rahim F.; Ullah I.; Taha M.; Iqbal N.; Khan F.; Khan M.S.; Shah S.A.A.; Wadood A.; Sajid M.; Abdalla A.N.
Published in Journal of Molecular Structure (2023)

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 comput...

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)