Works by Ul‐Haq, Zaheer

Results: 124

New Steroidal Alkaloids From Sarcococca Saligna.

Published in:

Natural Product Research, 2003, v. 17, n. 4, p. 235, doi. 10.1080/1057563021000051086

By:

Atta-Ur-Rahman;
Feroz, Fareeda;
Zaheer-Ul-Haq;
Nawaz, Sarfraz A.;
Khan, M. Riaz;
Choudhary, M. Iqbal

Publication type:

Article

Multitargeted inhibition of key enzymes associated with diabetes and Alzheimer's disease by 1,3,4‐oxadiazole derivatives: Synthesis, in vitro screening, and computational studies.

Published in:

Archiv der Pharmazie, 2023, v. 356, n. 12, p. 1, doi. 10.1002/ardp.202300384

By:

Fatima, Bibi;
Saleem, Faiza;
Salar, Uzma;
Chigurupati, Sridevi;
Felemban, Shatha G.;
Ul‐Haq, Zaheer;
Tariq, Syeda S.;
Almahmoud, Suliman A.;
Taha, Muhammad;
Shah, Syed T. A.;
Khan, Khalid M.

Publication type:

Article

Isatin thiazoles as antidiabetic: Synthesis, in vitro enzyme inhibitory activities, kinetics, and in silico studies.

Published in:

Archiv der Pharmazie, 2022, v. 355, n. 6, p. 1, doi. 10.1002/ardp.202100481

By:

Solangi, Mehwish;
Kanwal;
Khan, Khalid M.;
Chigurupati, Sridevi;
Saleem, Faiza;
Qureshi, Urooj;
Ul‐Haq, Zaheer;
Jabeen, Almas;
Felemban, Shatha G.;
Zafar, Fatima;
Perveen, Shahnaz;
Taha, Muhammad;
Bhatia, Saurabh

Publication type:

Article

Levetiracetam ameliorates epileptogenesis by modulating the adenosinergic pathway in a kindling model of epilepsy in mice.

Published in:

Turkish Journal of Medical Sciences, 2023, v. 53, n. 5, p. 1045, doi. 10.55730/1300-0144.5669

By:

JAMAL, Muhammad;
AZAM, Muhammad;
KHAN, Salman Ali;
UL-HAQ, Zaheer;
SIMJEE, Shabana Usman

Publication type:

Article

Synthesis, In Vitro and in Cell Study of a New Spirooxindoles-Based N-Alkylated Maleimides Targeting HER2/3 Signaling Pathway.

Published in:

Polycyclic Aromatic Compounds, 2023, v. 43, n. 6, p. 5251, doi. 10.1080/10406638.2022.2101486

By:

Barakat, Assem;
Abu-Serie, Marwa M.;
Ali, M.;
Al-Majid, Abdullah Mohammed;
Ashraf, Sajda;
Zia, Komal;
Ul-Haq, Zaheer;
Al-Dhfyan, Abdullah;
Abdel-Aziz, Hatem A.;
El-Faham, Ayman;
Domingo, Luis R.

Publication type:

Article

Synthesis and anti-Cancer Activity of a New Hybrid Based Spirooxindole-Pyrrolidine -Thiochromene Scaffolds via [3 + 2] Cycloaddition Reaction: Computational Investigation.

Published in:

Polycyclic Aromatic Compounds, 2023, v. 43, n. 3, p. 2302, doi. 10.1080/10406638.2022.2042334

By:

Barakat, Assem;
Haukka, Matti;
Soliman, Saied M.;
Al-Majid, Abdullah Mohammed;
Ali, M.;
Islam, Mohammad Shahidul;
Karami, Abdulnasser Mahmoud;
Ul-Haq, Zaheer;
Domingo, Luis R.

Publication type:

Article

Degradation kinetics of fluvoxamine in buffer solutions: In silico ADMET profiling and identification of degradation products by LC-MS/ESI.

Published in:

Arabian Journal of Chemistry, 2020, v. 13, n. 2, p. 4134, doi. 10.1016/j.arabjc.2019.06.001

By:

Naz, Asia;
Iqtadar, Rabia;
Siddiqui, Farhan Ahmed;
Ul-Haq, Zaheer

Publication type:

Article

Characterization of the interactions between coumarin-derivatives and acetylcholinesterase: Examination by NMR and docking simulations.

Published in:

Journal of Molecular Modeling, 2018, v. 24, n. 8, p. 1, doi. 10.1007/s00894-018-3751-3

By:

Tanoli, Nazish U.;
Tanoli, Sheraz A. K.;
Ferreira, Antonio G.;
Mehmood, Mazhar;
Gul, Sana;
Monteiro, Julia L.;
Vieira, Lucas C. C.;
Venâncio, Tiago;
Correa, Arlene G.;
Ul-Haq, Zaheer

Publication type:

Article

In silico modeling of the specific inhibitorypotential ofthiophene-2,3-dihydro-1,5-benzothiazepineagainst BChE in the formation of β-amyloidplaques associated with Alzheimer's disease.

Published in:

Theoretical Biology & Medical Modelling, 2010, v. 7, p. 22, doi. 10.1186/1742-4682-7-22

By:

Ul-Haq, Zaheer;
Khan, Waqasuddin;
Kalsoom, Saima;
Ansari, Farzana L.

Publication type:

Article

Designing Functionally Substituted Pyridine-Carbohydrazides for Potent Antibacterial and Devouring Antifungal Effect on Multidrug Resistant (MDR) Strains.

Published in:

Molecules, 2023, v. 28, n. 1, p. 212, doi. 10.3390/molecules28010212

By:

Khan, Farooq-Ahmad;
Yaqoob, Sana;
Ali, Shujaat;
Tanveer, Nimra;
Wang, Yan;
Ashraf, Sajda;
Hasan, Khwaja Ali;
Khalifa, Shaden A. M.;
Shou, Qiyang;
Ul-Haq, Zaheer;
Jiang, Zi-Hua;
El-Seedi, Hesham R.

Publication type:

Article

Synthesis of 2-Aminopyrimidine Derivatives and Their Evaluation as β -Glucuronidase Inhibitors: In Vitro and In Silico Studies.

Published in:

Molecules, 2022, v. 27, n. 22, p. 7786, doi. 10.3390/molecules27227786

By:

Iqbal, Sarosh;
Shaikh, Nimra Naveed;
Khan, Khalid Mohammed;
Kiran, Shumaila;
Naz, Sehrish;
Ul-Haq, Zaheer;
Perveen, Shahnaz;
Choudhary, M. Iqbal

Publication type:

Article

Sarcorucinine-D Inhibits Cholinesterases and Calcium Channels: Molecular Dynamics Simulation and In Vitro Mechanistic Investigations.

Published in:

Molecules, 2022, v. 27, n. 11, p. 3361, doi. 10.3390/molecules27113361

By:

Khalid, Asaad;
Abdalla, Mohnad;
Saeed, Maria;
Ghayur, Muhammad Nabeel;
Kalauni, Surya Kant;
Albratty, Mohammed;
Alhazmi, Hassan A.;
Mesaik, Mohammed Ahmed;
Gilani, Anwarul Hassan;
Ul-Haq, Zaheer

Publication type:

Article

Virtual Screening, Synthesis and Biological Evaluation of Streptococcus mutans Mediated Biofilm Inhibitors.

Published in:

Molecules, 2022, v. 27, n. 4, p. 1455, doi. 10.3390/molecules27041455

By:

Atta, Lubna;
Khalil, Ruqaiya;
Khan, Khalid Mohammed;
Zehra, Moatter;
Saleem, Faiza;
Nur-e-Alam, Mohammad;
Ul-Haq, Zaheer

Publication type:

Article

Synthesis of Highly Potent Anti-Inflammatory Compounds (ROS Inhibitors) from Isonicotinic Acid.

Published in:

Molecules, 2021, v. 26, n. 5, p. 1272, doi. 10.3390/molecules26051272

By:

Yaqoob, Sana;
Nasim, Nourina;
Khanam, Rahila;
Wang, Yan;
Jabeen, Almas;
Qureshi, Urooj;
Ul-Haq, Zaheer;
El-Seedi, Hesham R.;
Jiang, Zi-Hua;
Khan, Farooq-Ahmad;
Brycki, Bogumil E.

Publication type:

Article

Discovery of Potential Chemical Probe as Inhibitors of CXCL12 Using Ligand-Based Virtual Screening and Molecular Dynamic Simulation.

Published in:

Molecules, 2020, v. 25, n. 20, p. 4829, doi. 10.3390/molecules25204829

By:

Haider, Sajjad;
Barakat, Assem;
Ul-Haq, Zaheer;
Toropova, Alla P.

Publication type:

Article

Synthesis of a New Class of Spirooxindole–Benzo[ b ]Thiophene-Based Molecules as Acetylcholinesterase Inhibitors.

Published in:

Molecules, 2020, v. 25, n. 20, p. 4671, doi. 10.3390/molecules25204671

By:

Barakat, Assem;
Alshahrani, Saeed;
Al-Majid, Abdullah Mohammed;
Ali, M.;
Altowyan, Mezna Saleh;
Islam, Mohammad Shahidul;
Alamary, Abdullah Saleh;
Ashraf, Sajda;
Ul-Haq, Zaheer;
González, Florenci V.

Publication type:

Article

Phenylpyrazalopyrimidines as Tyrosine Kinase Inhibitors: Synthesis, Antiproliferative Activity, and Molecular Simulations.

Published in:

Molecules, 2020, v. 25, n. 9, p. 2135, doi. 10.3390/molecules25092135

By:

Chhikara, Bhupender S.;
Ashraf, Sajda;
Mozaffari, Saghar;
St. Jeans, Nicole;
Mandal, Dindyal;
Tiwari, Rakesh Kumar;
Ul-Haq, Zaheer;
Parang, Keykavous;
Chen, Qiao-Hong

Publication type:

Article

Inhibitory Effects of Myrtucommuacetalone 1 (MCA-1) from Myrtus Communis on Inflammatory Response in Mouse Macrophages.

Published in:

Molecules, 2020, v. 25, n. 1, p. 13, doi. 10.3390/molecules25010013

By:

Soomro, Samreen;
Mesaik, M. Ahmed;
Shaheen, Farzana;
Khan, Noureen;
Halim, Sobia Ahsan;
Ul-Haq, Zaheer;
Ali Siddiqui, Rafat;
Choudhary, Muhammad Iqbal;
Daglia, Maria;
Carradori, Simone;
Vitalone, Annabella

Publication type:

Article

Design, Synthesis and Docking Studies of Flavokawain B Type Chalcones and Their Cytotoxic Effects on MCF-7 and MDA-MB-231 Cell Lines.

Published in:

Molecules, 2018, v. 23, n. 3, p. 616, doi. 10.3390/molecules23030616

By:

Bakar, Addila Abu;
Akhtar, Muhammad Nadeem;
Ali, Norlaily Mohd;
Swee Keong Yeap;
Ching Kheng Quah;
Wan-Sin Loh;
Alitheen, Noorjahan Banu;
Zareen, Seema;
Ul-Haq, Zaheer;
Ali Shah, Syed Adnan

Publication type:

Article

Gd-Complexes of New Arylpiperazinyl Conjugates of DTPA-Bis(amides): Synthesis, Characterization and Magnetic Relaxation Properties.

Published in:

Molecules, 2015, v. 20, n. 5, p. 7807, doi. 10.3390/molecules20057807

By:

Ba-Salem, Abdullah O.;
Ullah, Nisar;
Shaikh, M. Nasiruzzaman;
Faiz, Mohamed;
Ul-Haq, Zaheer

Publication type:

Article

Synthesis, Bioactivity, Molecular Docking and POM Analyses of Novel Substituted Thieno[2,3-b]thiophenes and Related Congeners.

Published in:

Molecules, 2015, v. 20, n. 2, p. 1824, doi. 10.3390/molecules20021824

By:

Mabkhot, Yahia N.;
Aldawsari, Fahad D.;
Al-Showiman, Salim S.;
Barakat, Assem;
Taibi Ben Hadda;
Mubarak, Mohammad S.;
Naz, Sehrish;
Ul-Haq, Zaheer;
Rauf, Abdur

Publication type:

Article

Synthesis, Anti-microbial and Molecular Docking Studies of Quinazolin-4(3H)-one Derivatives.

Published in:

Molecules, 2014, v. 19, n. 7, p. 8725, doi. 10.3390/molecules19078725

By:

Mabkhot, Yahia Nasser;
Al-Har, Munirah S.;
Assem Barakat;
Aldawsari, Fahad D.;
Aldalbahi, Ali;
Ul-Haq, Zaheer

Publication type:

Article

Mechanistic insight into the mode of inhibition of dietary flavonoids; targeting macrophage migration inhibitory factor.

Published in:

Frontiers in Molecular Biosciences, 2024, p. 1, doi. 10.3389/fmolb.2024.1414572

By:

Siddiqui, Ali Raza;
Mushtaq, Mamona;
Sardar, Madiha;
Atta, Lubna;
Nur-e-Alam, Mohammad;
Ahmad, Aftab;
Ul-Haq, Zaheer

Publication type:

Article

Betamethasone Dipropionate Derivatization, Biotransformation, Molecular Docking, and ADME Analysis as Glucocorticoid Receptor.

Published in:

BioMed Research International, 2022, p. 1, doi. 10.1155/2022/6865472

By:

Rashid, Sana;
Anjum, Shazia;
Ahmad, Aqeel;
Nadeem, Raziya;
Ahmed, Maqsood;
Shah, Syed Adnan Ali;
Abdullah, Muhammad;
Zia, Komal;
Ul-haq, Zaheer

Publication type:

Article

Betamethasone Dipropionate Derivatization, Biotransformation, Molecular Docking, and ADME Analysis as Glucocorticoid Receptor.

Published in:

BioMed Research International, 2022, p. 1, doi. 10.1155/2022/6865472

By:

Rashid, Sana;
Anjum, Shazia;
Ahmad, Aqeel;
Nadeem, Raziya;
Ahmed, Maqsood;
Shah, Syed Adnan Ali;
Abdullah, Muhammad;
Zia, Komal;
Ul-haq, Zaheer

Publication type:

Article

Betamethasone Dipropionate Derivatization, Biotransformation, Molecular Docking, and ADME Analysis as Glucocorticoid Receptor.

Published in:

BioMed Research International, 2022, p. 1, doi. 10.1155/2022/6865472

By:

Rashid, Sana;
Anjum, Shazia;
Ahmad, Aqeel;
Nadeem, Raziya;
Ahmed, Maqsood;
Shah, Syed Adnan Ali;
Abdullah, Muhammad;
Zia, Komal;
Zaheer-Ul-Haq

Publication type:

Article

Identification of potential TNF-α inhibitors: from in silico to in vitro studies.

Published in:

Scientific Reports, 2020, v. 10, n. 1, p. N.PAG, doi. 10.1038/s41598-020-77750-3

By:

Zia, Komal;
Ashraf, Sajda;
Jabeen, Almas;
Saeed, Maria;
Nur-e-Alam, Mohammad;
Ahmed, Sarfaraz;
Al-Rehaily, Adnan J.;
Ul-Haq, Zaheer

Publication type:

Article

Molecular dynamics simulation of mammalian 15S-lipoxygenase with AMBER force field.

Published in:

European Biophysics Journal, 2011, v. 40, n. 6, p. 715, doi. 10.1007/s00249-011-0684-5

By:

Moin, Syed;
Hofer, Thomas;
Sattar, Rabia;
Ul-Haq, Zaheer

Publication type:

Article

Optimization of Structure Based Virtual Screening Protocols Against Thymidine Monophosphate Kinase Inhibitors as Antitubercular Agents.

Published in:

Molecular Informatics, 2011, v. 30, n. 10, p. 851, doi. 10.1002/minf.201100049

By:

Ul-Haq, Zaheer;
Uddin, Reaz;
Gul, Sana

Publication type:

Article

Natural anti-hepatitis B virus flavones isolated from schimperi vatke growing in Saudi Arabia: Cell culture and molecular docking study.

Published in:

Pharmacognosy Magazine, 2022, v. 18, n. 78, p. 386, doi. 10.4103/pm.pm_600_21

By:

Ahmed, Sarfaraz;
Parvez, Mohammad;
Zia, Komal;
Nur-e-Alam, Mohammad;
Ul-Haq, Zaheer;
Al-Dosari, Mohammed;
Al-Rehaily, Adnan

Publication type:

Article

Superoxide Scavenging and Antiglycation Activity of Rhinacanthins-rich Extract Obtained from the Leaves of Rhinacanthus nasutus.

Published in:

Pharmacognosy Magazine, 2017, v. 13, n. 52, p. 652, doi. 10.4103/pm.pm_196_17

By:

Shah, Muhammad Ajmal;
Muhammad, Haji;
Mehmood, Yasir;
Khalil, Ruqaiya;
Ul-Haq, Zaheer;
Panichayupakaranant, Pharkphoom

Publication type:

Article

LC-ESI-MS analysis, antioxidant, anti-diabetic and molecular docking studies on Corchorus depressus (L.) C.Chr.

Published in:

Natural Product Research, 2023, v. 37, n. 22, p. 3832, doi. 10.1080/14786419.2022.2150847

By:

Anjum, Shazia;
Tahir, Humna;
Sarwar, Sadia;
Raza, Wajid;
Latif, Irum;
Rasheed, Hafiz Muhammad Farhan;
Jabeen, Qaiser;
Shahid, Wardah;
Ashraf, Muhammad;
Zehra, Syeda Sadaf;
Ul-Haq, Zaheer;
Ayaz, Muhammad;
Sadiq, Abdul

Publication type:

Article

Structure-based design, synthesis and biological evaluation of β-glucuronidase inhibitors.

Published in:

Journal of Computer-Aided Molecular Design, 2014, v. 28, n. 5, p. 577, doi. 10.1007/s10822-014-9745-z

By:

Khan, Khalid;
Ambreen, Nida;
Taha, Muhammad;
Halim, Sobia;
Zaheer-ul-Haq;
Naureen, Shagufta;
Rasheed, Saima;
Perveen, Shahnaz;
Ali, Sajjad;
Choudhary, Mohammad

Publication type:

Article

Novel spirooxindole-triazole derivatives: unveiling [3+2] cycloaddition reactivity through molecular electron density theory and investigating their potential cytotoxicity against HepG2 and MDA-MB-231 cell lines.

Published in:

Frontiers in Chemistry, 2024, p. 1, doi. 10.3389/fchem.2024.1460384

By:

Shawish, Ihab;
Al Ayoubi, Samha;
El-Faham, Ayman;
Aldalbahi, Ali;
El-Senduny, Fardous F.;
Badria, Farid A.;
Ríos-Gutiérrez, Mar;
Hammud, Hassan H.;
Ashraf, Sajda;
Ul-Haq, Zaheer;
Barakat, Assem

Publication type:

Article

Novel spirooxindole-triazole derivatives: unveiling [3+2] cycloaddition reactivity through molecular electron density theory and investigating their potential cytotoxicity against HepG2 and MDA-MB-231 cell lines.

Published in:

Frontiers in Chemistry, 2024, p. 1, doi. 10.3389/fchem.2024.1460384

By:

Shawish, Ihab;
Al Ayoubi, Samha;
El-Faham, Ayman;
Aldalbahi, Ali;
El-Senduny, Fardous F.;
Badria, Farid A.;
Ríos-Gutiérrez, Mar;
Hammud, Hassan H.;
Ashraf, Sajda;
Ul-Haq, Zaheer;
Barakat, Assem

Publication type:

Article

Novel spirooxindole-triazole derivatives: unveiling [3+2] cycloaddition reactivity through molecular electron density theory and investigating their potential cytotoxicity against HepG2 and MDA-MB-231 cell lines.

Published in:

Frontiers in Chemistry, 2024, p. 1, doi. 10.3389/fchem.2024.1460384

By:

Shawish, Ihab;
Ayoubi, Samha Al;
El-Faham, Ayman;
Aldalbahi, Ali;
El-Senduny, Fardous F.;
Badria, Farid A.;
Rios-Gutierrez, Mar;
Hammud, Hassan H.;
Ashraf, Sajda;
Ul-Haq, Zaheer;
Barakat, Assem;
Chtita, Samir;
Aly, Ashraf A.

Publication type:

Article

Exploring pyrrolidinyl-spirooxindole natural products as promising platforms for the synthesis of novel spirooxindoles as EGFR/CDK2 inhibitors for halting breast cancer cells.

Published in:

Frontiers in Chemistry, 2024, p. 01, doi. 10.3389/fchem.2024.1364378

By:

Nafie, Mohamed S.;
Al-Majid, Abdullah Mohammed;
Ali, M.;
Alayyaf, Abdulmajeed Abdullah;
Haukka, Matti;
Ashraf, Sajda;
Ul-Haq, Zaheer;
El-Faham, Ayman;
Barakat, Assem;
Nossier, Eman;
Nassar, Ibrahim F.

Publication type:

Article

Structure, Antimicrobial Activity, Hirshfeld Analysis, and Docking Studies of Three Silver(I) Complexes-Based Pyridine Ligands.

Published in:

Applied Sciences (2076-3417), 2020, v. 10, n. 14, p. 4853, doi. 10.3390/app10144853

By:

Badr, Ahmed M. A.;
Barakat, Assem;
Albering, Jörg H.;
Sharaf, Mona M.;
Ul-Haq, Zaheer;
Soliman, Saied M.

Publication type:

Article

Enamine Barbiturates and Thiobarbiturates as a New Class of Bacterial Urease Inhibitors.

Published in:

Applied Sciences (2076-3417), 2020, v. 10, n. 10, p. 3523, doi. 10.3390/app10103523

By:

Ali, M.;
Barakat, Assem;
El-Faham, Ayman;
Al-Majid, Abdullah Mohammed;
Yousuf, Sammer;
Ashraf, Sajda;
Ul-Haq, Zaheer;
Choudhary, M. Iqbal;
de la Torre, Beatriz G.;
Albericio, Fernando

Publication type:

Article

Identification of novel small molecule inhibitors for solute carrier SGLT1; a computational exploration.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 22, p. 12537, doi. 10.1080/07391102.2023.2270708

By:

Haider, Sajjad;
Mushtaq, Mamona;
Nur-e-Alam, Mohammad;
Ahmed, Aftab;
Ul-Haq, Zaheer

Publication type:

Article

Identification of IL-2 inducible tyrosine kinase inhibitors by quantum mechanics and ligand based virtual screening approaches.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 7, p. 3630, doi. 10.1080/07391102.2023.2214220

By:

Khan, Alamgir;
Zia, Komal;
Khan, Salman Ali;
Khalid, Asaad;
Abdalla, Ashraf N.;
Bibi, Marium;
Ul-Haq, Zaheer

Publication type:

Article

Highlights in TMPRSS2 inhibition mechanism with guanidine derivatives approved drugs for COVID-19 treatment.

Published in:

Journal of Biomolecular Structure & Dynamics, 2023, v. 41, n. 22, p. 12908, doi. 10.1080/07391102.2023.2169762

By:

Tachoua, Wafa;
Kabrine, Mohamed;
Mushtaq, Mamona;
Selmi, Ahmed;
Ul-Haq, Zaheer

Publication type:

Article

Design of a novel multiple epitope-based vaccine: an immunoinformatics approach to combat monkeypox.

Published in:

Journal of Biomolecular Structure & Dynamics, 2023, v. 41, n. 19, p. 9344, doi. 10.1080/07391102.2022.2141887

By:

Hayat, Chandni;
Shahab, Muhammad;
Khan, Salman Ali;
Liang, Chaoqun;
Duan, Xiuyuan;
Khan, Haleema;
Zheng, Guojun;
Ul-Haq, Zaheer

Publication type:

Article

New lead compounds identification against KRas mediated cancers through pharmacophore-based virtual screening and in vitro assays.

Published in:

Journal of Biomolecular Structure & Dynamics, 2023, v. 41, n. 16, p. 8053, doi. 10.1080/07391102.2022.2128878

By:

Ghufran, Mehreen;
Rehman, Ashfaq Ur;
Ayaz, Muhammad;
ul-Haq, Zaheer;
Uddin, Reaz;
Azam, Syed Sikander;
Wadood, Abdul

Publication type:

Article

Theoretical investigation of selective ligand binding mode of galanin receptors.

Published in:

Journal of Biomolecular Structure & Dynamics, 2022, v. 40, n. 23, p. 12964, doi. 10.1080/07391102.2021.1977703

By:

Khan, Salman Ali;
Zia, Komal;
Ashraf, Sajda;
Khan, Alamgir;
Ul-Haq, Zaheer

Publication type:

Article

Mechanistic insights into the inhibitory activity of FDA approved ivermectin against SARS-CoV-2: old drug with new implications.

Published in:

Journal of Biomolecular Structure & Dynamics, 2022, v. 40, n. 17, p. 8100, doi. 10.1080/07391102.2021.1906750

By:

Qureshi, Urooj;
Mir, Sonia;
Naz, Sehrish;
Nur-e-Alam, Mohammad;
Ahmed, Sarfaraz;
Ul-Haq, Zaheer

Publication type:

Article

Relative assessment of different statistical instruments and measures for the prediction of promising outcomes using docking, virtual screening and ADMET analysis against HIV-RT.

Published in:

Journal of Biomolecular Structure & Dynamics, 2022, v. 40, n. 17, p. 7680, doi. 10.1080/07391102.2021.1900915

By:

Shamshad, Hina;
Saeed, Maria;
Ul-Haq, Zaheer;
Halim, Sobia Ahsan;
Gul, Sana;
Mirza, Agha Zeeshan

Publication type:

Article

Structure and ligand-based drug discovery of IL-4 inhibitors via interaction-energy-based learning approaches.

Published in:

Journal of Biomolecular Structure & Dynamics, 2022, v. 40, n. 14, p. 6503, doi. 10.1080/07391102.2021.1886172

By:

Naz, Sehrish;
Ashraf, Sajda;
Parvez, Mohammad K.;
Al-Dosari, Mohammed S.;
Ul-Haq, Zaheer

Publication type:

Article

Probing the mechanism of peptide binding to REV response element RNA of HIV-1; MD simulations and free energy calculations.

Published in:

Journal of Biomolecular Structure & Dynamics, 2022, v. 40, n. 10, p. 4399, doi. 10.1080/07391102.2020.1856722

By:

Ali, Nizakat;
Khalil, Ruqaiya;
Nur-e-Alam, Mohammad;
Ahmed, Sarfaraz;
Ul-Haq, Zaheer

Publication type:

Article

Synthetic flavonoids as potential antiviral agents against SARS-CoV-2 main protease.

Published in:

Journal of Biomolecular Structure & Dynamics, 2022, v. 40, n. 8, p. 3777, doi. 10.1080/07391102.2020.1850359

By:

Batool, Farwa;
Mughal, Ehsan Ullah;
Zia, Komal;
Sadiq, Amina;
Naeem, Nafeesa;
Javid, Asif;
Ul-Haq, Zaheer;
Saeed, Muhammad

Publication type:

Article