Publications by authors named "Ashfaq Ur Rehman"

Claim this Profile
R
Role of artificial intelligence in revolutionizing drug discovery.
Ashfaq Ur Rehman, Mingyu Li, Binjian Wu, Yasir Ali, Salman Rasheed

Fundam Res· May 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
D
Deciphering the structural and dynamic effects of SHP2-E76 mutations: mechanistic insights into oncogenic activation.
Humaira Rafiq, Lu Han, Ashfaq Ur Rehman, Pei He, Ali Saber Abdelhameed

BMC Chem· May 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
D
Design and Biophysical Characterization of Second-Generation cyclic peptide LAG-3 inhibitors for cancer immunotherapy.
Laura Calvo-Barreiro, Longfei Zhang, Yasir Ali, Ashfaq Ur Rehman, Moustafa Gabr

Bioorg Med Chem Lett· November 2024

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
T
Targeting SHP2 Cryptic Allosteric Sites for Effective Cancer Therapy.
Ashfaq Ur Rehman, Cizhang Zhao, Yongxian Wu, Qiang Zhu, Ray Luo

Int J Mol Sci· June 2024

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
D
Discovering phenoxy acetohydrazide derivatives as urease inhibitors and molecular docking studies.
Muhammad Taha, Fazal Rahim, Imad Uddin, Mohd Amir, Naveed Iqbal, Ashfaq Ur Rehman

J Biomol Struct Dyn· April 2024

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
S
Synthesis of thiazole-based-thiourea analogs: as anticancer, antiglycation and antioxidant agents, structure activity relationship analysis and docking study.
Muhammad Taha, Fazal Rahim, Ihsan Ullah Khan, Nizam Uddin, Rai Khalid Farooq, Ashfaq Ur Rehman

J Biomol Struct Dyn· December 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
S
Synthesis of indole derivatives as Alzheimer inhibitors and their molecular docking study.
Zahra Abdulkarim Homoud, Muhammad Taha, Fazal Rahim, Naveed Iqbal, Muhammad Nawaz, Ashfaq Ur Rehman

J Biomol Struct Dyn· November 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
I
Identification of novel peptide inhibitors for oncogenic KRAS G12D as therapeutic options using mutagenesis-based remodeling and MD simulations.
Abdus Samad, Beenish Khurshid, Arif Mahmood, Ashfaq Ur Rehman, Asaad Khalid

J Biomol Struct Dyn· November 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
A novel alpha-amylase inhibitor-based spirooxindole-pyrrolidine-clubbed thiochromene-pyrzaole pharmacophores: Unveiling the [3+2] cycloaddition reaction by molecular electron density theory.
Mohammad Shahidul Islam, Abdullah Mohammed Al-Majid, Matti Haukka, Zahida Parveen, Nabeela Ravaiz, Ashfaq Ur Rehman

Chem Biol Drug Des· November 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
D
Discovery of First-in-Class Small Molecule Inhibitors of Lymphocyte Activation Gene 3 (LAG-3).
Somaya A Abdel-Rahman, Ashfaq Ur Rehman, Moustafa T Gabr

ACS Med Chem Lett· May 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
C
Computational approaches for the design of modulators targeting protein-protein interactions.
Ashfaq Ur Rehman, Beenish Khurshid, Yasir Ali, Salman Rasheed, Abdul Wadood

Expert Opin Drug Discov· March 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
P
Phosphorylation Modification Force Field FB18CMAP Improving Conformation Sampling of Phosphoproteins.
Ge Song, Bozitao Zhong, Bo Zhang, Ashfaq Ur Rehman, Hai-Feng Chen

J Chem Inf Model· March 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
I
Identification of novel inhibitors for SARS-CoV-2 as therapeutic options using machine learning-based virtual screening, molecular docking and MD simulation.
Abdus Samad, Amar Ajmal, Arif Mahmood, Beenish Khurshid, Ping Li, Ashfaq Ur Rehman

Front Mol Biosci· March 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
drug design for the novel Karachi-NF001 strain of brain-eating amoeba: .
Tayyab Saleem, Syed Babar Jamal, Badr Alzahrani, Amina Basheer, Sumra Wajid Abbasi, Ashfaq Ur Rehman

Front Mol Biosci· February 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
F
Fragment-Based Approaches Identified Tecovirimat-Competitive Novel Drug Candidate for Targeting the F13 Protein of the Monkeypox Virus.
Yasir Ali, Hina Imtiaz, Muhammad Mutaal Tahir, Fouzia Gul, Umair Ali Khan Saddozai, Ashfaq Ur Rehman

Viruses· February 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
B
Bioevaluation of synthetic pyridones as dual inhibitors of α-amylase and α-glucosidase enzymes and potential antioxidants.
Faiza Saleem, Khalid Mohammed Khan, Nisar Ullah, Musa Özil, Nimet Baltaş, Ashfaq Ur Rehman

Arch Pharm (Weinheim)· January 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
D
Design, synthesis and bio-evaluation of indolin-2-ones as potential antidiabetic agents.
Itohowo Gabriel Asuquo, Mehwish Solangi, Khalid Mohammed Khan, Sridevi Chigurupati, Ifeanyi Edozie Otuokere, Ashfaq Ur Rehman

Future Med Chem· January 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
A Novel Approach to Develop New and Potent Inhibitors for the Simultaneous Inhibition of Protease and Helicase Activities of HCV NS3/4A Protease: A Computational Approach.
Muhammad Riaz, Ashfaq Ur Rehman, Muhammad Waqas, Asaad Khalid, Ashraf N Abdalla

Molecules· January 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
S
Synthetic benzofuran-linked chalcones with dual actions: a potential therapeutic approach to manage diabetes mellitus.
Irfan Ali, Rafaila Rafique, Khalid Mohammed Khan, Sridevi Chigurupati, Xingyue Ji, Ashfaq Ur Rehman

Future Med Chem· January 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
I
Identification of a Potential Vaccine against Using Subtractive Proteomics and Reverse-Vaccinology Approaches.
Siyab Khan, Muhammad Rizwan, Adnan Zeb, Muhammad Alaa Eldeen, Said Hassan, Ashfaq Ur Rehman

Vaccines (Basel)· December 2022

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
M
Machine Learning-based Virtual Screening for STAT3 Anticancer Drug Target.
Abdul Wadood, Amar Ajmal, Muhammad Junaid, Ashfaq Ur Rehman, Reaz Uddin

Curr Pharm Des· November 2022

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
B
Bioengineering and computational analysis of programmed cell death ligand-1 monoclonal antibody.
Muhammad Kalim, Hamid Ali, Ashfaq Ur Rehman, Yong Lu, Jinbiao Zhan

Front Immunol· November 2022

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
N
New lead compounds identification against KRas mediated cancers through pharmacophore-based virtual screening and in vitro assays.
Mehreen Ghufran, Ashfaq Ur Rehman, Muhammad Ayaz, Zaheer Ul-Haq, Reaz Uddin

J Biomol Struct Dyn· October 2022

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
I
Identification of novel peptide inhibitors for the KRas-G12C variant to prevent oncogenic signaling.
Amar Ajmal, Yasir Ali, Ajmal Khan, Abdul Wadood, Ashfaq Ur Rehman

J Biomol Struct Dyn· October 2022

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
X
Xanthine oxidase inhibitory study of eight structurally diverse phenolic compounds.
Arshad Mehmood, Jiayi Li, Ashfaq Ur Rehman, Rovina Kobun, Inam U Llah

Front Nutr· September 2022

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis