Phytochemical screening and neuro-pharmacological activity of Mimosa pudica flowers: Integrating in vitro, in silico and in vivo approaches by Fahmida Alam, Rashedul Alam, A.T.M. Yusuf, Joya Datta Ripa, Raktim Das Nithin, Sourav Barua, Mohammed Fazlul Kabir, Seong-Tshool Hong, Hea-Jong Chung

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Synthesis and Anti-Cancer Activity In Vitro of Synephrine Derivatives by Ekaterina M. Zhidkova, Evgeniya S. Oleynik, Ekaterina A. Mikhina, Daria V. Stepanycheva, Diana D. Grigoreva, Lyubov E. Grebenkina, Kirill V. Gordeev, Ekaterina D. Savina, Andrey V. Matveev, Marianna G. Yakubovskaya, Ekaterina A. Lesovaya

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Metformin hydrochloride laden nanostructured lipid carriers: A promising strategy for skin diseases by Reem Y. Mahran, Ehab A Fouad, Sozan S Tous, Nermin E. Eleraky

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Exploration of the anti-inflammatory potential of Polygonum bistorta L.: protection against LPS-induced acute lung injury in rats via NF-ĸβ pathway inhibition by Sajida Parveen, Kashif ur Rehman Khan, Shahid Muhammad Iqbal, Hanan Y. Aati, Areej M. Al-taweel, Liaqat Hussain, Musaddique Hussain, Musaddique Hussain

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Evaluation and molecular modelling of bis-Schiff base derivatives as potential leads for management of diabetes mellitus by Daoud Safa, Thiab Samar, Jazzazi Taghreed M. A., Al-Shboul Tareq M. A., Ullah Saeed

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Virtual screening assisted identification of a phytocompound as potent inhibitor against Candida lusitaniae; an in-silico study by Rimsha Timotheous, Habiba Naz, Usman Arif, Momna Toqeer Dar, Muhammad Farhan Sarwar, Mudassar Fareed Awan, Sajed Ali, Safia Obaidur Rab

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Computational design of drug candidates for influenza A virus subtype H1N1 by inhibiting the viral neuraminidase-1 enzyme by Tambunan Usman Sumo Friend, Parikesit Arli Aditya, Dephinto Yonaniko, Sipahutar Feimmy Ruth Pratiwi

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Identification of potential geosmin-binding proteins in grass carp gill based on affinity responsive target stability and tandem mass tag proteomics by Jun-ming Zhang, Huan Han, Bing Fu, Yi-chao Li, Kang Li, Jing-wei Liu, Er-meng Yu, Li-ping Liu

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Pancreatic lipase inhibitory activity of selected pharmaceutical agents by Hamdan Imad I., Kasabri Violet N., Al-Hiari Yusuf M., El-Sabawi Dina, Zalloum Hiba

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Curcumin as a potential inhibitor of TGFβ3 computational insights for breast cancer therapy by Ali G. Alkhathami, Mohammad Y. Alshahrani, Saad Ali Alshehri, Nazim Nasir, Shadma Wahab

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Integrating single-cell RNA-Seq and bulk RNA-Seq data to explore the key role of fatty acid metabolism in hepatocellular carcinoma by Hua Dai, Xin Tao, Yuansen Shu, Fanrong Liu, Xiaoping Cheng, Xiushen Li, Bairui Shu, Hongcheng Luo, XuXiang Chen, Zhaorui Cheng

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Designing a broad-spectrum multi-epitope subunit vaccine against leptospirosis using immunoinformatics and structural approaches by Guneswar Sethi, Guneswar Sethi, Young Kyu Kim, Su-Cheol Han, Jeong Ho Hwang, Jeong Ho Hwang

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CADD based designing and biological evaluation of novel triazole based thiazolidinedione coumarin hybrids as antidiabetic agent by Anchal Sharma, Anmol Narang, Nitish Kumar, Rupali Rana, Megha, Pooja, Muskan Dhir, Harmandeep Kaur Gulati, Jyoti, Aanchal Khanna, Jatinder Vir Singh, Sukhraj Kaur, Preet Mohinder Singh Bedi

Subjects: “…Molecular docking…”
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GC–MS analysis and in silico approaches to Stichopus hermanii as anti-inflammatory through PKC-β inhibition by Kurnia Fatwati, Asmawati Amin, Lenni Indriani, Rusdina Bte Ladju, Fuad Husain Akbar, Nurlindah Hamrun

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Preparation, Identification, and Enzyme Inhibition Kinetic Analysis of Phosvitin α-Amylase Inhibitory Peptides by Tianrui XUE, Binfei LÜ, Mingran ZHANG, Can LI, Xiaowei ZHANG

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Novel coumarin-based acetohydrazide-1,2,3-triazole derivatives as urease enzyme inhibitors: Synthesis, in vitro evaluation, and molecular dynamics simulation studies by Hassan Sepehrmansourie, Mohammad Azimi, Ahmad Ebadi, Gholamabbas Chehardoli, Mohammad Ali Zolfigol, Massoud Amanlou, Mohammad Nazari Montazer, Mohammad Mahdavi, Zahra Najafi

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Scrutinizing the evidence of anthracene toxicity on adrenergic receptor beta-2 and its bioremediation by fungal manganese peroxidase via in silico approaches by Muhammad Naveed, Khadija Khatoon, Tariq Aziz, Rida Naveed, Muhammad Nouman Majeed, Maida Salah Ud Din, Tayyab Javed, Ayaz Ali Khan, Abdullah F. Alasmari

Subjects: “…Molecular docking…”
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A novel approach for target deconvolution from phenotype-based screening using knowledge graph by Xiaohong Wang, Meifang Zhang, Jianliang Xu, Xin Li, Jing Xiong, Haowei Cao, Fangkun Dou, Xue Zhai, Hua Sun

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Exploring pyrazolines as potential inhibitors of NSP3-macrodomain of SARS-CoV-2: synthesis and in silico analysis by Rekha Joshi, Harsh Gaikwad, Bhavana Soge, Abdulrahman Alshammari, Norah A. Albekairi, Atul Kabra, Usha Yashwante, Baban Kolte, Pradip Lokhande, Rohan J Meshram

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Identification of Potential Selective PAK4 Inhibitors Through Shape and Protein Conformation Ensemble Screening and Electrostatic-Surface-Matching Optimization by Xiaoxuan Zhang, Meile Zhang, Yihao Li, Ping Deng

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