Browsing by Author "Maryam, Arooma"
Now showing items 1-5 of 5
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Cryo-EM density map fitting driven in-silico structure of human soluble guanylate cyclase (hsGC) reveals functional aspects of inter-domain cross talk upon No binding
Khalid, Rana Rehan; Maryam, Arooma; Fadouloglou, Vasiliki E.; Siddiqi, Abdul Rauf; Zhang, Yang (Elsevier Inc., 2019)The human soluble Guanylate Cyclase (hsGC) is a heterodimeric heme-containing enzyme which regulates many important physiological processes. In eukaryotes, hsGC is the only known receptor for nitric oxide (NO) signaling. ... -
E-pharmacophore based virtual screening for identification of dual specific PDE5A and PDE3A inhibitors as potential leads against cardiovascular diseases
Maryam, Arooma; Khalid, Rana Rehan; Siddiqi, Abdul Rauf; Ece, Abdulilah (Informa UK Limited, 17.04.2020)The need of circumventing life-threatening cardiovascular disorders (CVDs) and pulmonary hypertension (PHT) worldwide prompts researchers to develop effective therapeutic agents. Crucial role of cyclic nucleotide ... -
Exploring the structural basis of conformational heterogeneity and autoinhibition of human cGMP-specific protein kinase Ia through computational modelling and molecular dynamics simulations
Maryam, Arooma; Khalid, Rana Rehan; Vedithi, Sundeep Chaitanya; Ece, Abdulilah; Çınaroğlu, Süleyman Selim; Siddiqi, Abdul Rauf; Blundell, Tom L. (Elsevier, 2020)Protein kinase Ia (PKGIa) is a pivotal cyclic guanosine monophosphate (cGMP) signalling protein. Major steps related to the structural plasticity of PKGIa have been inferred but the structural aspects of the auto-inhibition ... -
Identification of selective inhibitors for phosphodiesterase 5A using e-pharmacophore modelling and large-scale virtual screening-based structure guided drug discovery approaches
Maryam, Arooma; Siddiqi, Abdul Rauf; Vedithic, Sundeep Chaitanya; Ece, Abdulilah; Khalid, Rana Rehan (Taylor & Francis, 2023)ABSTRACT The inhibition of Phosphodiesterase 5A (PDEA5) has the potential to modulate pulmonary arterialhypertension and cardiovascular diseases. Exploring the cross-reactivity of clinically available PDE5Atherapeutics ... -
Probing the structural dynamics of the catalytic domain of human soluble guanylate cyclase
Khalid, Rana Rehan; Maryam, Arooma; Sezerman, Osman Uğur; Mylonas, Efstratios; Siddiqi, Abdul Rauf; Kokkinidis, Michael (Springer Nature, 11.07.2020)In the nitric oxide (NO) signaling pathway, human soluble guanylate cyclase (hsGC) synthesizes cyclic guanosine monophosphate (cGMP); responsible for the regulation of cGMP-specific protein kinases (PKGs) and phosphodiesterases ...
